1-chloro-3-ethyl-5-methyl-6-phenyl-2H-pyridine-4-carbonitrile

C15H15ClN2 — CID 91366251

IUPAC1-chloro-3-ethyl-5-methyl-6-phenyl-2H-pyridine-4-carbonitrile
SMILESCCC1=C(C#N)C(C)=C(c2ccccc2)N(Cl)C1
InChIInChI=1S/C15H15ClN2/c1-3-12-10-18(16)15(11(2)14(12)9-17)13-7-5-4-6-8-13/h4-8H,3,10H2,1-2H3
InChIKeyFUOWULISCPTCBW-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.12
Rot. Bonds2

About 1-chloro-3-ethyl-5-methyl-6-phenyl-2H-pyridine-4-carbonitrile

1-chloro-3-ethyl-5-methyl-6-phenyl-2H-pyridine-4-carbonitrile (PubChem CID 91366251) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-chloro-3-ethyl-5-methyl-6-phenyl-2H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-chloro-3-ethyl-5-methyl-6-phenyl-2H-pyridine-4-carbonitrile
PubChem CID91366251
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name1-chloro-3-ethyl-5-methyl-6-phenyl-2H-pyridine-4-carbonitrile
SMILESCCC1=C(C#N)C(C)=C(c2ccccc2)N(Cl)C1
InChIInChI=1S/C15H15ClN2/c1-3-12-10-18(16)15(11(2)14(12)9-17)13-7-5-4-6-8-13/h4-8H,3,10H2,1-2H3
InChIKeyFUOWULISCPTCBW-UHFFFAOYSA-N
XLogP4.12
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-ethyl-5-methyl-6-phenyl-2H-pyridine-4-carbonitrile?
The IUPAC name of 1-chloro-3-ethyl-5-methyl-6-phenyl-2H-pyridine-4-carbonitrile (CID 91366251) is 1-chloro-3-ethyl-5-methyl-6-phenyl-2H-pyridine-4-carbonitrile.
What is the SMILES notation for 1-chloro-3-ethyl-5-methyl-6-phenyl-2H-pyridine-4-carbonitrile?
The canonical SMILES for 1-chloro-3-ethyl-5-methyl-6-phenyl-2H-pyridine-4-carbonitrile is CCC1=C(C#N)C(C)=C(c2ccccc2)N(Cl)C1.
What is the InChIKey of 1-chloro-3-ethyl-5-methyl-6-phenyl-2H-pyridine-4-carbonitrile?
The InChIKey is FUOWULISCPTCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c1-3-12-10-18(16)15(11(2)14(12)9-17)13-7-5-4-6-8-13/h4-8H,3,10H2,1-2H3.
What are the key properties of 1-chloro-3-ethyl-5-methyl-6-phenyl-2H-pyridine-4-carbonitrile?
1-chloro-3-ethyl-5-methyl-6-phenyl-2H-pyridine-4-carbonitrile has a molecular weight of 258.75 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-ethyl-5-methyl-6-phenyl-2H-pyridine-4-carbonitrile is sourced from PubChem (CID 91366251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).