6-chloro-2-cyclopropyl-4-methylpyridine-3-carbonitrile

C10H9ClN2 — CID 163870027

IUPAC6-chloro-2-cyclopropyl-4-methylpyridine-3-carbonitrile
SMILESCc1cc(Cl)nc(C2CC2)c1C#N
InChIInChI=1S/C10H9ClN2/c1-6-4-9(11)13-10(7-2-3-7)8(6)5-12/h4,7H,2-3H2,1H3
InChIKeyPJZPHZCHUPVSRC-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.79
Rot. Bonds1

About 6-chloro-2-cyclopropyl-4-methylpyridine-3-carbonitrile

6-chloro-2-cyclopropyl-4-methylpyridine-3-carbonitrile (PubChem CID 163870027) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-4-methylpyridine-3-carbonitrile
PubChem CID163870027
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name6-chloro-2-cyclopropyl-4-methylpyridine-3-carbonitrile
SMILESCc1cc(Cl)nc(C2CC2)c1C#N
InChIInChI=1S/C10H9ClN2/c1-6-4-9(11)13-10(7-2-3-7)8(6)5-12/h4,7H,2-3H2,1H3
InChIKeyPJZPHZCHUPVSRC-UHFFFAOYSA-N
XLogP2.79
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-chloro-4-methylpyridine-3-carbonitrile
CID 5149878
6-chloro-2-[4-[[(1R,2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]-4-methylpyridine-3-carbonitrile
CID 118267375
2,6-dimethyl-4-(4-methylcyclohexyl)benzonitrile
CID 22942556
4-chloro-2-cyclopropylpyridine-3-carbonitrile
CID 151414455
4,6-dichloro-2-cyclopropylpyrimidine-5-carbonitrile
CID 122200579
2,6-dichloro-4-cyclopropylbenzonitrile
CID 167443793
2-[(2,6-dimethylpiperidin-1-yl)amino]-4,6-dimethylpyridine-3-carbonitrile
CID 83017107
2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 55061903
2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 83220184
5-chloro-3-cyclobutyl-1-methylpyrazole-4-carbonitrile
CID 82657508
6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile
CID 58106161
bis(3-cyano-4,6-dimethylpyridine-2-thiolate);dichlorotin(2+)
CID 15978262

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-4-methylpyridine-3-carbonitrile?
The IUPAC name of 6-chloro-2-cyclopropyl-4-methylpyridine-3-carbonitrile (CID 163870027) is 6-chloro-2-cyclopropyl-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-chloro-2-cyclopropyl-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-chloro-2-cyclopropyl-4-methylpyridine-3-carbonitrile is Cc1cc(Cl)nc(C2CC2)c1C#N.
What is the InChIKey of 6-chloro-2-cyclopropyl-4-methylpyridine-3-carbonitrile?
The InChIKey is PJZPHZCHUPVSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c1-6-4-9(11)13-10(7-2-3-7)8(6)5-12/h4,7H,2-3H2,1H3.
What are the key properties of 6-chloro-2-cyclopropyl-4-methylpyridine-3-carbonitrile?
6-chloro-2-cyclopropyl-4-methylpyridine-3-carbonitrile has a molecular weight of 192.65 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 163870027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).