1-(2-chloroethyl)-2-methylimidazo[4,5-c]pyridine

C9H10ClN3 — CID 676618

IUPAC1-(2-chloroethyl)-2-methylimidazo[4,5-c]pyridine
SMILESCc1nc2cnccc2n1CCCl
InChIInChI=1S/C9H10ClN3/c1-7-12-8-6-11-4-2-9(8)13(7)5-3-10/h2,4,6H,3,5H2,1H3
InChIKeyDNBFSCUFCSGQSC-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.98
Rot. Bonds2

About 1-(2-chloroethyl)-2-methylimidazo[4,5-c]pyridine

1-(2-chloroethyl)-2-methylimidazo[4,5-c]pyridine (PubChem CID 676618) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 1-(2-chloroethyl)-2-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(2-chloroethyl)-2-methylimidazo[4,5-c]pyridine
PubChem CID676618
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name1-(2-chloroethyl)-2-methylimidazo[4,5-c]pyridine
SMILESCc1nc2cnccc2n1CCCl
InChIInChI=1S/C9H10ClN3/c1-7-12-8-6-11-4-2-9(8)13(7)5-3-10/h2,4,6H,3,5H2,1H3
InChIKeyDNBFSCUFCSGQSC-UHFFFAOYSA-N
XLogP1.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-methylimidazo[4,5-c]pyridine
CID 147300637
4-(2-methylimidazo[4,5-c]pyridin-1-yl)butan-1-amine
CID 19864517
sodium 4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoate
CID 70344895
2-methyl-1-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridine
CID 10847078
2-methyl-1-[2-(5-pentadecyloxolan-2-yl)ethyl]imidazo[4,5-c]pyridine
CID 67835206
2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine
CID 79292139
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine
CID 79292917
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethyl-N-methylethanamine
CID 79292261
2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine
CID 79291828
2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
CID 115326595
2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine
CID 79292679
2-(2-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine
CID 79291836

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-2-methylimidazo[4,5-c]pyridine?
The IUPAC name of 1-(2-chloroethyl)-2-methylimidazo[4,5-c]pyridine (CID 676618) is 1-(2-chloroethyl)-2-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(2-chloroethyl)-2-methylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(2-chloroethyl)-2-methylimidazo[4,5-c]pyridine is Cc1nc2cnccc2n1CCCl.
What is the InChIKey of 1-(2-chloroethyl)-2-methylimidazo[4,5-c]pyridine?
The InChIKey is DNBFSCUFCSGQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c1-7-12-8-6-11-4-2-9(8)13(7)5-3-10/h2,4,6H,3,5H2,1H3.
What are the key properties of 1-(2-chloroethyl)-2-methylimidazo[4,5-c]pyridine?
1-(2-chloroethyl)-2-methylimidazo[4,5-c]pyridine has a molecular weight of 195.65 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-2-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 676618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).