4-chloro-6-cyclopropylpyridine-3-carbonitrile

C9H7ClN2 — CID 162523629

IUPAC4-chloro-6-cyclopropylpyridine-3-carbonitrile
SMILESN#Cc1cnc(C2CC2)cc1Cl
InChIInChI=1S/C9H7ClN2/c10-8-3-9(6-1-2-6)12-5-7(8)4-11/h3,5-6H,1-2H2
InChIKeySYUWXQGPGBARHS-UHFFFAOYSA-N
MW178.62 g/mol
LogP2.48
Rot. Bonds1

About 4-chloro-6-cyclopropylpyridine-3-carbonitrile

4-chloro-6-cyclopropylpyridine-3-carbonitrile (PubChem CID 162523629) has the molecular formula C9H7ClN2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 4-chloro-6-cyclopropylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-cyclopropylpyridine-3-carbonitrile
PubChem CID162523629
Molecular FormulaC9H7ClN2
Molecular Weight178.62 g/mol
Exact Mass178.03
IUPAC Name4-chloro-6-cyclopropylpyridine-3-carbonitrile
SMILESN#Cc1cnc(C2CC2)cc1Cl
InChIInChI=1S/C9H7ClN2/c10-8-3-9(6-1-2-6)12-5-7(8)4-11/h3,5-6H,1-2H2
InChIKeySYUWXQGPGBARHS-UHFFFAOYSA-N
XLogP2.48
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropylpyridine-3-carbonitrile?
The IUPAC name of 4-chloro-6-cyclopropylpyridine-3-carbonitrile (CID 162523629) is 4-chloro-6-cyclopropylpyridine-3-carbonitrile.
What is the SMILES notation for 4-chloro-6-cyclopropylpyridine-3-carbonitrile?
The canonical SMILES for 4-chloro-6-cyclopropylpyridine-3-carbonitrile is N#Cc1cnc(C2CC2)cc1Cl.
What is the InChIKey of 4-chloro-6-cyclopropylpyridine-3-carbonitrile?
The InChIKey is SYUWXQGPGBARHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2/c10-8-3-9(6-1-2-6)12-5-7(8)4-11/h3,5-6H,1-2H2.
What are the key properties of 4-chloro-6-cyclopropylpyridine-3-carbonitrile?
4-chloro-6-cyclopropylpyridine-3-carbonitrile has a molecular weight of 178.62 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropylpyridine-3-carbonitrile is sourced from PubChem (CID 162523629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).