N-(3-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine

C12H9N5O2 — CID 90985313

IUPACN-(3-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESO=[N+]([O-])c1cccc(Nc2ccc3[nH]cnc3n2)c1
InChIInChI=1S/C12H9N5O2/c18-17(19)9-3-1-2-8(6-9)15-11-5-4-10-12(16-11)14-7-13-10/h1-7H,(H2,13,14,15,16)
InChIKeyDQVVQZXNWYYYKL-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.61
Rot. Bonds3

About N-(3-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine

N-(3-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 90985313) has the molecular formula C12H9N5O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-(3-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(3-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID90985313
Molecular FormulaC12H9N5O2
Molecular Weight255.24 g/mol
Exact Mass255.08
IUPAC NameN-(3-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESO=[N+]([O-])c1cccc(Nc2ccc3[nH]cnc3n2)c1
InChIInChI=1S/C12H9N5O2/c18-17(19)9-3-1-2-8(6-9)15-11-5-4-10-12(16-11)14-7-13-10/h1-7H,(H2,13,14,15,16)
InChIKeyDQVVQZXNWYYYKL-UHFFFAOYSA-N
XLogP2.61
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-nitrophenyl)pyrimidin-4-amine
CID 46844785
2-chloro-N-(3-nitrophenyl)-7H-purin-6-amine;2,6-dichloro-7H-purine
CID 159255333
CID 58015538
CID 58015538
7-(1-methylpyrazol-4-yl)-N-(3-nitrophenyl)-1,5-naphthyridin-2-amine
CID 90288925
ethyl 4-[[2-(3-nitroanilino)-7H-purin-6-yl]amino]benzoate
CID 10295556
2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine
CID 19258585
N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 15937972
2-[(3-nitrophenyl)methylideneamino]-1,7-dihydropurin-6-one
CID 135891444
2-(3-nitroanilino)pyridine-3-carboxamide
CID 901913
(Z)-N-methyl-2-[6-(3-nitroanilino)-1,5-naphthyridin-3-yl]prop-1-ene-1,3-diamine
CID 144666964
4-N-(1-methylpiperidin-4-yl)-6-N-(3-nitrophenyl)pyrimidine-4,6-diamine
CID 174347191
2-(3,5-dimethylpyrazol-1-yl)-6-methyl-N-(3-nitrophenyl)pyrimidin-4-amine
CID 8668786

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of N-(3-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine (CID 90985313) is N-(3-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-(3-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-(3-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine is O=[N+]([O-])c1cccc(Nc2ccc3[nH]cnc3n2)c1.
What is the InChIKey of N-(3-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is DQVVQZXNWYYYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2/c18-17(19)9-3-1-2-8(6-9)15-11-5-4-10-12(16-11)14-7-13-10/h1-7H,(H2,13,14,15,16).
What are the key properties of N-(3-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine?
N-(3-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 255.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 90985313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).