6-chloro-3-methyl-2H-pyridine-3-carbonitrile

C7H7ClN2 — CID 146278367

IUPAC6-chloro-3-methyl-2H-pyridine-3-carbonitrile
SMILESCC1(C#N)C=CC(Cl)=NC1
InChIInChI=1S/C7H7ClN2/c1-7(4-9)3-2-6(8)10-5-7/h2-3H,5H2,1H3
InChIKeyTWVWPKZXSQSEOD-UHFFFAOYSA-N
MW154.60 g/mol
LogP1.72
Rot. Bonds

About 6-chloro-3-methyl-2H-pyridine-3-carbonitrile

6-chloro-3-methyl-2H-pyridine-3-carbonitrile (PubChem CID 146278367) has the molecular formula C7H7ClN2 and a molecular weight of 154.60 g/mol. Its IUPAC name is 6-chloro-3-methyl-2H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-3-methyl-2H-pyridine-3-carbonitrile
PubChem CID146278367
Molecular FormulaC7H7ClN2
Molecular Weight154.60 g/mol
Exact Mass154.03
IUPAC Name6-chloro-3-methyl-2H-pyridine-3-carbonitrile
SMILESCC1(C#N)C=CC(Cl)=NC1
InChIInChI=1S/C7H7ClN2/c1-7(4-9)3-2-6(8)10-5-7/h2-3H,5H2,1H3
InChIKeyTWVWPKZXSQSEOD-UHFFFAOYSA-N
XLogP1.72
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-2H-pyridine-3-carbonitrile?
The IUPAC name of 6-chloro-3-methyl-2H-pyridine-3-carbonitrile (CID 146278367) is 6-chloro-3-methyl-2H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-chloro-3-methyl-2H-pyridine-3-carbonitrile?
The canonical SMILES for 6-chloro-3-methyl-2H-pyridine-3-carbonitrile is CC1(C#N)C=CC(Cl)=NC1.
What is the InChIKey of 6-chloro-3-methyl-2H-pyridine-3-carbonitrile?
The InChIKey is TWVWPKZXSQSEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2/c1-7(4-9)3-2-6(8)10-5-7/h2-3H,5H2,1H3.
What are the key properties of 6-chloro-3-methyl-2H-pyridine-3-carbonitrile?
6-chloro-3-methyl-2H-pyridine-3-carbonitrile has a molecular weight of 154.60 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-2H-pyridine-3-carbonitrile is sourced from PubChem (CID 146278367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).