4-chloro-5,6-dimethylpyridine-2-carbonitrile

C8H7ClN2 — CID 54753519

IUPAC4-chloro-5,6-dimethylpyridine-2-carbonitrile
SMILESCc1nc(C#N)cc(Cl)c1C
InChIInChI=1S/C8H7ClN2/c1-5-6(2)11-7(4-10)3-8(5)9/h3H,1-2H3
InChIKeyHMNBJOKVLVKPAW-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.22
Rot. Bonds

About 4-chloro-5,6-dimethylpyridine-2-carbonitrile

4-chloro-5,6-dimethylpyridine-2-carbonitrile (PubChem CID 54753519) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 4-chloro-5,6-dimethylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-chloro-5,6-dimethylpyridine-2-carbonitrile
PubChem CID54753519
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Name4-chloro-5,6-dimethylpyridine-2-carbonitrile
SMILESCc1nc(C#N)cc(Cl)c1C
InChIInChI=1S/C8H7ClN2/c1-5-6(2)11-7(4-10)3-8(5)9/h3H,1-2H3
InChIKeyHMNBJOKVLVKPAW-UHFFFAOYSA-N
XLogP2.22
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dimethylpyridine-2-carbonitrile?
The IUPAC name of 4-chloro-5,6-dimethylpyridine-2-carbonitrile (CID 54753519) is 4-chloro-5,6-dimethylpyridine-2-carbonitrile.
What is the SMILES notation for 4-chloro-5,6-dimethylpyridine-2-carbonitrile?
The canonical SMILES for 4-chloro-5,6-dimethylpyridine-2-carbonitrile is Cc1nc(C#N)cc(Cl)c1C.
What is the InChIKey of 4-chloro-5,6-dimethylpyridine-2-carbonitrile?
The InChIKey is HMNBJOKVLVKPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c1-5-6(2)11-7(4-10)3-8(5)9/h3H,1-2H3.
What are the key properties of 4-chloro-5,6-dimethylpyridine-2-carbonitrile?
4-chloro-5,6-dimethylpyridine-2-carbonitrile has a molecular weight of 166.61 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dimethylpyridine-2-carbonitrile is sourced from PubChem (CID 54753519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).