2-amino-6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile

C7H4ClN5 — CID 87480995

IUPAC2-amino-6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile
SMILESN#Cc1nc(Cl)cc2[nH]c(N)nc12
InChIInChI=1S/C7H4ClN5/c8-5-1-3-6(4(2-9)11-5)13-7(10)12-3/h1H,(H3,10,12,13)
InChIKeyRBWXVJRHDCPLJW-UHFFFAOYSA-N
MW193.60 g/mol
LogP1.07
Rot. Bonds

About 2-amino-6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile

2-amino-6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 87480995) has the molecular formula C7H4ClN5 and a molecular weight of 193.60 g/mol. Its IUPAC name is 2-amino-6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-amino-6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID87480995
Molecular FormulaC7H4ClN5
Molecular Weight193.60 g/mol
Exact Mass193.02
IUPAC Name2-amino-6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile
SMILESN#Cc1nc(Cl)cc2[nH]c(N)nc12
InChIInChI=1S/C7H4ClN5/c8-5-1-3-6(4(2-9)11-5)13-7(10)12-3/h1H,(H3,10,12,13)
InChIKeyRBWXVJRHDCPLJW-UHFFFAOYSA-N
XLogP1.07
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.60
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 2-amino-6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile (CID 87480995) is 2-amino-6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 2-amino-6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 2-amino-6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile is N#Cc1nc(Cl)cc2[nH]c(N)nc12.
What is the InChIKey of 2-amino-6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is RBWXVJRHDCPLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN5/c8-5-1-3-6(4(2-9)11-5)13-7(10)12-3/h1H,(H3,10,12,13).
What are the key properties of 2-amino-6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
2-amino-6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 193.60 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 87480995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).