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Chemical ID: 6450759

Chemical ID:

6450759

Name [?]:

2-[(4-methyl-3-nitro-2-pyridyl)amino]ethanol

SMILES [?]:

Cc1ccnc(c1[N+](=O)[O-])NCCO

InChi [?]:

InChI=1/C8H11N3O3/c1-6-2-3-9-8(10-4-5-12)7(6)11(13)14/h2-3,12H,4-5H2,1H3,(H,9,10)

InChi Info:

AuxInfo=1/1/N:1,3,4,12,13,2,7,6,5,11,8,14,9,10/E:(13,14)/CRV:11.5/rA:14nCCCCNCCN+OO-NCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s6;s11;s12;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₈H₁₁N₃O₃
All Atoms:	14
Heavy Atoms:	14
Chiral Atoms:	0

ZAP Information [?]

Total:	1.61812
Area:	365.764
Solvation:	-7.52598
Coulombic:	-47.0665

Bond Count [?]

All:	14
Single:	10
Double:	4
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	197.191
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	1.07
LogP (Chemaxon):	1.63

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value