2-bromo-3-ethyl-6-methyl-4-(2,3,4-trifluorophenyl)pyridine

C14H11BrF3N — CID 175249853

IUPAC2-bromo-3-ethyl-6-methyl-4-(2,3,4-trifluorophenyl)pyridine
SMILESCCc1c(-c2ccc(F)c(F)c2F)cc(C)nc1Br
InChIInChI=1S/C14H11BrF3N/c1-3-8-10(6-7(2)19-14(8)15)9-4-5-11(16)13(18)12(9)17/h4-6H,3H2,1-2H3
InChIKeyRSNPFCKWQAGRKO-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.80
Rot. Bonds2

About 2-bromo-3-ethyl-6-methyl-4-(2,3,4-trifluorophenyl)pyridine

2-bromo-3-ethyl-6-methyl-4-(2,3,4-trifluorophenyl)pyridine (PubChem CID 175249853) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is 2-bromo-3-ethyl-6-methyl-4-(2,3,4-trifluorophenyl)pyridine.

Molecular Properties

Compound Name2-bromo-3-ethyl-6-methyl-4-(2,3,4-trifluorophenyl)pyridine
PubChem CID175249853
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name2-bromo-3-ethyl-6-methyl-4-(2,3,4-trifluorophenyl)pyridine
SMILESCCc1c(-c2ccc(F)c(F)c2F)cc(C)nc1Br
InChIInChI=1S/C14H11BrF3N/c1-3-8-10(6-7(2)19-14(8)15)9-4-5-11(16)13(18)12(9)17/h4-6H,3H2,1-2H3
InChIKeyRSNPFCKWQAGRKO-UHFFFAOYSA-N
XLogP4.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-bromo-3-ethyl-6-methyl-4-(2,3,4-trifluorophenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sib 1893
CID 5311432
2-Bromo-3-methylquinoline
CID 1236665
2-Methyl-4,6-diphenylpyridine
CID 618669
2-Bromoquinoline
CID 2762756
6-(Cyano(4-fluorophenyl)methyl)-3-methylpicolinonitrile (26)
CID 56604871
2-Bromo-4-methylquinoline
CID 268970
2-Bromo-6-phenylpyridine
CID 568679
3-Bromo-2-fluoroquinoline
CID 639439
2-Methyl-6-phenylpyridine
CID 2762885
2-Bromo-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile
CID 1871785
Tocris-1214
CID 6604016
2-Bromo-4,6-diphenylnicotinonitrile
CID 818430

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-ethyl-6-methyl-4-(2,3,4-trifluorophenyl)pyridine?
The IUPAC name of 2-bromo-3-ethyl-6-methyl-4-(2,3,4-trifluorophenyl)pyridine (CID 175249853) is 2-bromo-3-ethyl-6-methyl-4-(2,3,4-trifluorophenyl)pyridine.
What is the SMILES notation for 2-bromo-3-ethyl-6-methyl-4-(2,3,4-trifluorophenyl)pyridine?
The canonical SMILES for 2-bromo-3-ethyl-6-methyl-4-(2,3,4-trifluorophenyl)pyridine is CCc1c(-c2ccc(F)c(F)c2F)cc(C)nc1Br.
What is the InChIKey of 2-bromo-3-ethyl-6-methyl-4-(2,3,4-trifluorophenyl)pyridine?
The InChIKey is RSNPFCKWQAGRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c1-3-8-10(6-7(2)19-14(8)15)9-4-5-11(16)13(18)12(9)17/h4-6H,3H2,1-2H3.
What are the key properties of 2-bromo-3-ethyl-6-methyl-4-(2,3,4-trifluorophenyl)pyridine?
2-bromo-3-ethyl-6-methyl-4-(2,3,4-trifluorophenyl)pyridine has a molecular weight of 330.15 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-ethyl-6-methyl-4-(2,3,4-trifluorophenyl)pyridine is sourced from PubChem (CID 175249853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).