4-[2-chloro-2-(2,6-difluoro-3-methylphenyl)ethyl]pyridine

C14H12ClF2N — CID 82818631

IUPAC4-[2-chloro-2-(2,6-difluoro-3-methylphenyl)ethyl]pyridine
SMILESCc1ccc(F)c(C(Cl)Cc2ccncc2)c1F
InChIInChI=1S/C14H12ClF2N/c1-9-2-3-12(16)13(14(9)17)11(15)8-10-4-6-18-7-5-10/h2-7,11H,8H2,1H3
InChIKeyCHNGMIQKFGHZFK-UHFFFAOYSA-N
MW267.71 g/mol
LogP4.19
Rot. Bonds3

About 4-[2-chloro-2-(2,6-difluoro-3-methylphenyl)ethyl]pyridine

4-[2-chloro-2-(2,6-difluoro-3-methylphenyl)ethyl]pyridine (PubChem CID 82818631) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is 4-[2-chloro-2-(2,6-difluoro-3-methylphenyl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-chloro-2-(2,6-difluoro-3-methylphenyl)ethyl]pyridine
PubChem CID82818631
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name4-[2-chloro-2-(2,6-difluoro-3-methylphenyl)ethyl]pyridine
SMILESCc1ccc(F)c(C(Cl)Cc2ccncc2)c1F
InChIInChI=1S/C14H12ClF2N/c1-9-2-3-12(16)13(14(9)17)11(15)8-10-4-6-18-7-5-10/h2-7,11H,8H2,1H3
InChIKeyCHNGMIQKFGHZFK-UHFFFAOYSA-N
XLogP4.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloro-2-phenylethyl)-1,3-difluoro-4-methylbenzene
CID 82815838
1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 82814614
[1-(2,6-difluoro-3-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105212355
2-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-difluoro-4-methylbenzene
CID 82815468
4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine
CID 82818474
N-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine
CID 82822617
2-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,3-difluorobenzene
CID 55225008
4-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]pyridine
CID 66461194
1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 106942393
4-[1-chloro-2-(4-methylphenyl)ethyl]pyridine
CID 63016107
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 82814538
N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 82822811

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-2-(2,6-difluoro-3-methylphenyl)ethyl]pyridine?
The IUPAC name of 4-[2-chloro-2-(2,6-difluoro-3-methylphenyl)ethyl]pyridine (CID 82818631) is 4-[2-chloro-2-(2,6-difluoro-3-methylphenyl)ethyl]pyridine.
What is the SMILES notation for 4-[2-chloro-2-(2,6-difluoro-3-methylphenyl)ethyl]pyridine?
The canonical SMILES for 4-[2-chloro-2-(2,6-difluoro-3-methylphenyl)ethyl]pyridine is Cc1ccc(F)c(C(Cl)Cc2ccncc2)c1F.
What is the InChIKey of 4-[2-chloro-2-(2,6-difluoro-3-methylphenyl)ethyl]pyridine?
The InChIKey is CHNGMIQKFGHZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-9-2-3-12(16)13(14(9)17)11(15)8-10-4-6-18-7-5-10/h2-7,11H,8H2,1H3.
What are the key properties of 4-[2-chloro-2-(2,6-difluoro-3-methylphenyl)ethyl]pyridine?
4-[2-chloro-2-(2,6-difluoro-3-methylphenyl)ethyl]pyridine has a molecular weight of 267.71 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-2-(2,6-difluoro-3-methylphenyl)ethyl]pyridine is sourced from PubChem (CID 82818631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).