2-(2-chloro-4-pyridinyl)-2-methylpropanenitrile

C9H9ClN2 — CID 131271060

IUPAC2-(2-chloro-4-pyridinyl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccnc(Cl)c1
InChIInChI=1S/C9H9ClN2/c1-9(2,6-11)7-3-4-12-8(10)5-7/h3-5H,1-2H3
InChIKeyPEEFZNCHDXAWTO-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.54
Rot. Bonds1

About 2-(2-chloro-4-pyridinyl)-2-methylpropanenitrile

2-(2-chloro-4-pyridinyl)-2-methylpropanenitrile (PubChem CID 131271060) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)-2-methylpropanenitrile
PubChem CID131271060
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name2-(2-chloro-4-pyridinyl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccnc(Cl)c1
InChIInChI=1S/C9H9ClN2/c1-9(2,6-11)7-3-4-12-8(10)5-7/h3-5H,1-2H3
InChIKeyPEEFZNCHDXAWTO-UHFFFAOYSA-N
XLogP2.54
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.54
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-(4-chloro-3-methylphenyl)-2-methylpropanenitrile
CID 69098681
2-chloro-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyridine
CID 157088405
2-chloro-4-(2-methoxypentan-2-yl)pyridine
CID 123729466
2-[2-(3,3-dimethylpiperazin-1-yl)-4-pyridinyl]-2-methylpropanenitrile;hydrochloride
CID 163389782
2-(3-chloro-4-methoxyphenyl)-2-methylpropanenitrile
CID 82077904
2-(3-chloro-4-iodo-2-pyridinyl)-2-methylpropanenitrile
CID 155858637
4-(2-cyanopropan-2-yl)benzenesulfonyl chloride
CID 72942871
2-(2-chloro-4-pyridinyl)-1-cyclopropylpropan-2-ol
CID 123306255
2-(3,4-difluorophenyl)-2-methylpropanenitrile
CID 55264652
2-(6-chloro-3-pyridinyl)acetonitrile;2-(6-chloro-3-pyridinyl)-2-methylpropanenitrile
CID 162181529
2-(4-chloro-3-propan-2-yloxyphenyl)-2-methylpropanenitrile
CID 84798947
2-imidazo[1,2-a]pyridin-7-ylacetonitrile;2-imidazo[1,2-a]pyridin-7-yl-2-methylpropanenitrile
CID 167660028

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-pyridinyl)-2-methylpropanenitrile?
The IUPAC name of 2-(2-chloro-4-pyridinyl)-2-methylpropanenitrile (CID 131271060) is 2-(2-chloro-4-pyridinyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)-2-methylpropanenitrile is CC(C)(C#N)c1ccnc(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)-2-methylpropanenitrile?
The InChIKey is PEEFZNCHDXAWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-9(2,6-11)7-3-4-12-8(10)5-7/h3-5H,1-2H3.
What are the key properties of 2-(2-chloro-4-pyridinyl)-2-methylpropanenitrile?
2-(2-chloro-4-pyridinyl)-2-methylpropanenitrile has a molecular weight of 180.64 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyridinyl)-2-methylpropanenitrile is sourced from PubChem (CID 131271060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).