2-chloro-4-(4-fluorophenyl)-5-propan-2-ylpyridine-3-carbonitrile

C15H12ClFN2 — CID 94283510

IUPAC2-chloro-4-(4-fluorophenyl)-5-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)c1cnc(Cl)c(C#N)c1-c1ccc(F)cc1
InChIInChI=1S/C15H12ClFN2/c1-9(2)13-8-19-15(16)12(7-18)14(13)10-3-5-11(17)6-4-10/h3-6,8-9H,1-2H3
InChIKeyQRQBYGDSKHLIOE-UHFFFAOYSA-N
MW274.73 g/mol
LogP4.54
Rot. Bonds2

About 2-chloro-4-(4-fluorophenyl)-5-propan-2-ylpyridine-3-carbonitrile

2-chloro-4-(4-fluorophenyl)-5-propan-2-ylpyridine-3-carbonitrile (PubChem CID 94283510) has the molecular formula C15H12ClFN2 and a molecular weight of 274.73 g/mol. Its IUPAC name is 2-chloro-4-(4-fluorophenyl)-5-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-(4-fluorophenyl)-5-propan-2-ylpyridine-3-carbonitrile
PubChem CID94283510
Molecular FormulaC15H12ClFN2
Molecular Weight274.73 g/mol
Exact Mass274.07
IUPAC Name2-chloro-4-(4-fluorophenyl)-5-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)c1cnc(Cl)c(C#N)c1-c1ccc(F)cc1
InChIInChI=1S/C15H12ClFN2/c1-9(2)13-8-19-15(16)12(7-18)14(13)10-3-5-11(17)6-4-10/h3-6,8-9H,1-2H3
InChIKeyQRQBYGDSKHLIOE-UHFFFAOYSA-N
XLogP4.54
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 54.54
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluorophenyl)-5-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-chloro-4-(4-fluorophenyl)-5-propan-2-ylpyridine-3-carbonitrile (CID 94283510) is 2-chloro-4-(4-fluorophenyl)-5-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-4-(4-fluorophenyl)-5-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-4-(4-fluorophenyl)-5-propan-2-ylpyridine-3-carbonitrile is CC(C)c1cnc(Cl)c(C#N)c1-c1ccc(F)cc1.
What is the InChIKey of 2-chloro-4-(4-fluorophenyl)-5-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is QRQBYGDSKHLIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2/c1-9(2)13-8-19-15(16)12(7-18)14(13)10-3-5-11(17)6-4-10/h3-6,8-9H,1-2H3.
What are the key properties of 2-chloro-4-(4-fluorophenyl)-5-propan-2-ylpyridine-3-carbonitrile?
2-chloro-4-(4-fluorophenyl)-5-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 274.73 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-fluorophenyl)-5-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 94283510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).