2-[(E)-1-chloroprop-1-enyl]-3-methyl-5-(2,3,4-trifluorophenyl)pyridine

C15H11ClF3N — CID 146292569

IUPAC2-[(E)-1-chloroprop-1-enyl]-3-methyl-5-(2,3,4-trifluorophenyl)pyridine
SMILESC/C=C(/Cl)c1ncc(-c2ccc(F)c(F)c2F)cc1C
InChIInChI=1S/C15H11ClF3N/c1-3-11(16)15-8(2)6-9(7-20-15)10-4-5-12(17)14(19)13(10)18/h3-7H,1-2H3/b11-3+
InChIKeyPCUMWEAWKGTLCC-QDEBKDIKSA-N
MW297.71 g/mol
LogP5.07
Rot. Bonds2

About 2-[(E)-1-chloroprop-1-enyl]-3-methyl-5-(2,3,4-trifluorophenyl)pyridine

2-[(E)-1-chloroprop-1-enyl]-3-methyl-5-(2,3,4-trifluorophenyl)pyridine (PubChem CID 146292569) has the molecular formula C15H11ClF3N and a molecular weight of 297.71 g/mol. Its IUPAC name is 2-[(E)-1-chloroprop-1-enyl]-3-methyl-5-(2,3,4-trifluorophenyl)pyridine.

Molecular Properties

Compound Name2-[(E)-1-chloroprop-1-enyl]-3-methyl-5-(2,3,4-trifluorophenyl)pyridine
PubChem CID146292569
Molecular FormulaC15H11ClF3N
Molecular Weight297.71 g/mol
Exact Mass297.05
IUPAC Name2-[(E)-1-chloroprop-1-enyl]-3-methyl-5-(2,3,4-trifluorophenyl)pyridine
SMILESC/C=C(/Cl)c1ncc(-c2ccc(F)c(F)c2F)cc1C
InChIInChI=1S/C15H11ClF3N/c1-3-11(16)15-8(2)6-9(7-20-15)10-4-5-12(17)14(19)13(10)18/h3-7H,1-2H3/b11-3+
InChIKeyPCUMWEAWKGTLCC-QDEBKDIKSA-N
XLogP5.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.71
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-(2-fluoro-3-methylphenyl)-2-[(E)-1-fluoroprop-1-enyl]-3-methylpyridine
CID 146292628
5-(2,3,4-trifluorophenyl)pyridin-3-ol
CID 79020426
5-(2,4-difluoro-3-methylphenyl)-N,N,3-trimethylpyridin-2-amine
CID 134417202
2-[(E)-1-bromoprop-1-enyl]-5-(4-fluorophenyl)-3-methylpyridine
CID 146292543
2-methyl-5-(2,3,4-trifluorophenyl)benzoic acid
CID 65309587
5-(4-fluoronaphthalen-1-yl)-3-methylpyridin-2-amine
CID 83170406
5-(3,5-difluorophenyl)-3-methyl-2-[(E)-1,1,1-trifluorobut-2-en-2-yl]pyridine
CID 146292661
5-(2,5-difluorophenyl)-3-methylpyridin-2-amine
CID 83170402
4-(2,3,4-trifluorophenyl)-1H-pyridazine-6-thione
CID 106517699
4-(2,3,4-trifluorophenyl)pyridin-2-amine
CID 104877319
methyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate
CID 170838684
1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene
CID 134627237

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-chloroprop-1-enyl]-3-methyl-5-(2,3,4-trifluorophenyl)pyridine?
The IUPAC name of 2-[(E)-1-chloroprop-1-enyl]-3-methyl-5-(2,3,4-trifluorophenyl)pyridine (CID 146292569) is 2-[(E)-1-chloroprop-1-enyl]-3-methyl-5-(2,3,4-trifluorophenyl)pyridine.
What is the SMILES notation for 2-[(E)-1-chloroprop-1-enyl]-3-methyl-5-(2,3,4-trifluorophenyl)pyridine?
The canonical SMILES for 2-[(E)-1-chloroprop-1-enyl]-3-methyl-5-(2,3,4-trifluorophenyl)pyridine is C/C=C(/Cl)c1ncc(-c2ccc(F)c(F)c2F)cc1C.
What is the InChIKey of 2-[(E)-1-chloroprop-1-enyl]-3-methyl-5-(2,3,4-trifluorophenyl)pyridine?
The InChIKey is PCUMWEAWKGTLCC-QDEBKDIKSA-N. The full InChI is InChI=1S/C15H11ClF3N/c1-3-11(16)15-8(2)6-9(7-20-15)10-4-5-12(17)14(19)13(10)18/h3-7H,1-2H3/b11-3+.
What are the key properties of 2-[(E)-1-chloroprop-1-enyl]-3-methyl-5-(2,3,4-trifluorophenyl)pyridine?
2-[(E)-1-chloroprop-1-enyl]-3-methyl-5-(2,3,4-trifluorophenyl)pyridine has a molecular weight of 297.71 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-chloroprop-1-enyl]-3-methyl-5-(2,3,4-trifluorophenyl)pyridine is sourced from PubChem (CID 146292569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).