2-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]acetonitrile

C12H11ClN4 — CID 76852816

IUPAC2-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]acetonitrile
SMILESN#CCc1nc2c(Cl)nccc2n1CC1CC1
InChIInChI=1S/C12H11ClN4/c13-12-11-9(4-6-15-12)17(7-8-1-2-8)10(16-11)3-5-14/h4,6,8H,1-3,7H2
InChIKeyBEBFFVCGPGCMHV-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.56
Rot. Bonds3

About 2-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]acetonitrile

2-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]acetonitrile (PubChem CID 76852816) has the molecular formula C12H11ClN4 and a molecular weight of 246.70 g/mol. Its IUPAC name is 2-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]acetonitrile
PubChem CID76852816
Molecular FormulaC12H11ClN4
Molecular Weight246.70 g/mol
Exact Mass246.07
IUPAC Name2-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]acetonitrile
SMILESN#CCc1nc2c(Cl)nccc2n1CC1CC1
InChIInChI=1S/C12H11ClN4/c13-12-11-9(4-6-15-12)17(7-8-1-2-8)10(16-11)3-5-14/h4,6,8H,1-3,7H2
InChIKeyBEBFFVCGPGCMHV-UHFFFAOYSA-N
XLogP2.56
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.56
H-Bond Donors ≤ 50
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-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]acetonitrile?
The IUPAC name of 2-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]acetonitrile (CID 76852816) is 2-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]acetonitrile?
The canonical SMILES for 2-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]acetonitrile is N#CCc1nc2c(Cl)nccc2n1CC1CC1.
What is the InChIKey of 2-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]acetonitrile?
The InChIKey is BEBFFVCGPGCMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4/c13-12-11-9(4-6-15-12)17(7-8-1-2-8)10(16-11)3-5-14/h4,6,8H,1-3,7H2.
What are the key properties of 2-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]acetonitrile?
2-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]acetonitrile has a molecular weight of 246.70 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]acetonitrile is sourced from PubChem (CID 76852816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).