2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine

C14H12BrClFN — CID 66454214

IUPAC2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Br)c1c(F)cccc1Cl
InChIInChI=1S/C14H12BrClFN/c1-9(12-7-2-3-8-18-12)14(15)13-10(16)5-4-6-11(13)17/h2-9,14H,1H3
InChIKeyNOVNXAWBFFAKPV-UHFFFAOYSA-N
MW328.61 g/mol
LogP5.11
Rot. Bonds3

About 2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine

2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine (PubChem CID 66454214) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is 2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine
PubChem CID66454214
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC Name2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Br)c1c(F)cccc1Cl
InChIInChI=1S/C14H12BrClFN/c1-9(12-7-2-3-8-18-12)14(15)13-10(16)5-4-6-11(13)17/h2-9,14H,1H3
InChIKeyNOVNXAWBFFAKPV-UHFFFAOYSA-N
XLogP5.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.61
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]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

2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine
CID 66455083
2-[1-bromo-1-(2-bromo-6-fluorophenyl)propan-2-yl]pyridine
CID 114561364
2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine
CID 66454208
2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine
CID 66453993
N-[1-(2-chloro-6-fluorophenyl)ethyl]pyridin-2-amine
CID 133356517
1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66446048
3-(2-chloro-6-fluorophenyl)butan-2-amine
CID 126977015
1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine
CID 43118828
2-[1-chloro-1-(2,4,6-trifluorophenyl)propan-2-yl]pyridine
CID 66460615
1-(2,3-dichlorophenyl)-2-pyridin-2-ylpropan-1-ol
CID 66459713
2-[1-chloro-1-(2,3-dichlorophenyl)propan-2-yl]pyridine
CID 66461007
2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
CID 66453990

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine?
The IUPAC name of 2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine (CID 66454214) is 2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine.
What is the SMILES notation for 2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine?
The canonical SMILES for 2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine is CC(c1ccccn1)C(Br)c1c(F)cccc1Cl.
What is the InChIKey of 2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine?
The InChIKey is NOVNXAWBFFAKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c1-9(12-7-2-3-8-18-12)14(15)13-10(16)5-4-6-11(13)17/h2-9,14H,1H3.
What are the key properties of 2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine?
2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine has a molecular weight of 328.61 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine is sourced from PubChem (CID 66454214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).