2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine

C10H12ClN3 — CID 76850733

IUPAC2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine
SMILESCCCCc1nc2c(Cl)nccc2[nH]1
InChIInChI=1S/C10H12ClN3/c1-2-3-4-8-13-7-5-6-12-10(11)9(7)14-8/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyQFXRNHSXTVSHPS-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.95
Rot. Bonds3

About 2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine

2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine (PubChem CID 76850733) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine
PubChem CID76850733
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine
SMILESCCCCc1nc2c(Cl)nccc2[nH]1
InChIInChI=1S/C10H12ClN3/c1-2-3-4-8-13-7-5-6-12-10(11)9(7)14-8/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyQFXRNHSXTVSHPS-UHFFFAOYSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-butyl-4-chloro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine (CID 76850733) is 2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine is CCCCc1nc2c(Cl)nccc2[nH]1.
What is the InChIKey of 2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine?
The InChIKey is QFXRNHSXTVSHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-2-3-4-8-13-7-5-6-12-10(11)9(7)14-8/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine?
2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine has a molecular weight of 209.68 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 76850733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).