5-chloro-N-phenyl-1H-imidazo[4,5-b]pyridin-7-amine

C12H9ClN4 — CID 14391780

IUPAC5-chloro-N-phenyl-1H-imidazo[4,5-b]pyridin-7-amine
SMILESClc1cc(Nc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C12H9ClN4/c13-10-6-9(11-12(17-10)15-7-14-11)16-8-4-2-1-3-5-8/h1-7H,(H2,14,15,16,17)
InChIKeyHWIXIVXZAMEFMO-UHFFFAOYSA-N
MW244.69 g/mol
LogP3.35
Rot. Bonds2

About 5-chloro-N-phenyl-1H-imidazo[4,5-b]pyridin-7-amine

5-chloro-N-phenyl-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 14391780) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 5-chloro-N-phenyl-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-N-phenyl-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID14391780
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name5-chloro-N-phenyl-1H-imidazo[4,5-b]pyridin-7-amine
SMILESClc1cc(Nc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C12H9ClN4/c13-10-6-9(11-12(17-10)15-7-14-11)16-8-4-2-1-3-5-8/h1-7H,(H2,14,15,16,17)
InChIKeyHWIXIVXZAMEFMO-UHFFFAOYSA-N
XLogP3.35
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine
CID 177331332
N-(2-bromophenyl)-2-chloro-7H-purin-6-amine
CID 25168953
5-chloro-7-nitro-1H-imidazo[4,5-b]pyridine
CID 5375533
2-benzylsulfanyl-6-chloro-7H-purine;2-benzylsulfanyl-N-phenyl-7H-purin-6-amine
CID 160928587
3-N-(6-chloro-7H-purin-2-yl)benzene-1,3-diamine
CID 87707609
6-(2-chloroanilino)-1,7-dihydropurin-2-one
CID 86270775
6-N-(4-chlorophenyl)-7H-purine-2,6-diamine
CID 14091121
2-chloro-N-pyridin-4-yl-7H-purin-6-amine
CID 155102926
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-phenyl-7H-purin-6-amine;dihydrochloride
CID 166304610
6-chloro-N-phenylpyrimidin-4-amine;hydrochloride
CID 86673656
2-chloro-N-(3-propan-2-ylphenyl)-7H-purin-6-amine
CID 104787073
1-N-(2-chloro-7H-purin-6-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 104787440

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-phenyl-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-chloro-N-phenyl-1H-imidazo[4,5-b]pyridin-7-amine (CID 14391780) is 5-chloro-N-phenyl-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-chloro-N-phenyl-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-chloro-N-phenyl-1H-imidazo[4,5-b]pyridin-7-amine is Clc1cc(Nc2ccccc2)c2[nH]cnc2n1.
What is the InChIKey of 5-chloro-N-phenyl-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is HWIXIVXZAMEFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-10-6-9(11-12(17-10)15-7-14-11)16-8-4-2-1-3-5-8/h1-7H,(H2,14,15,16,17).
What are the key properties of 5-chloro-N-phenyl-1H-imidazo[4,5-b]pyridin-7-amine?
5-chloro-N-phenyl-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 244.69 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-phenyl-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 14391780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).