2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile

C15H13ClN2 — CID 82120608

IUPAC2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
SMILESCC(C)c1ccc(-c2cnc(Cl)c(C#N)c2)cc1
InChIInChI=1S/C15H13ClN2/c1-10(2)11-3-5-12(6-4-11)14-7-13(8-17)15(16)18-9-14/h3-7,9-10H,1-2H3
InChIKeyKRTASPKRVWIKKX-UHFFFAOYSA-N
MW256.74 g/mol
LogP4.40
Rot. Bonds2

About 2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile

2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile (PubChem CID 82120608) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
PubChem CID82120608
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
SMILESCC(C)c1ccc(-c2cnc(Cl)c(C#N)c2)cc1
InChIInChI=1S/C15H13ClN2/c1-10(2)11-3-5-12(6-4-11)14-7-13(8-17)15(16)18-9-14/h3-7,9-10H,1-2H3
InChIKeyKRTASPKRVWIKKX-UHFFFAOYSA-N
XLogP4.40
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 54.40
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-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 72711592
2-chloro-5-(3,4,5-trichlorophenyl)pyridine-3-carbonitrile
CID 118994258
5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile
CID 171351160
2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile
CID 20517022
5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile
CID 13079832
2-methyl-5-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 155969690
2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile
CID 133094822
2-chloro-4-propan-2-ylbenzonitrile
CID 59856292
2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile
CID 82122908
3-chloro-5-(4-propan-2-ylphenyl)benzonitrile
CID 172993830
2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 118998520
2-chloro-5-ethylpyridine-3-carbonitrile
CID 14569539

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile (CID 82120608) is 2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile is CC(C)c1ccc(-c2cnc(Cl)c(C#N)c2)cc1.
What is the InChIKey of 2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile?
The InChIKey is KRTASPKRVWIKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c1-10(2)11-3-5-12(6-4-11)14-7-13(8-17)15(16)18-9-14/h3-7,9-10H,1-2H3.
What are the key properties of 2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile?
2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile has a molecular weight of 256.74 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 82120608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).