2-[2-chloro-2-(2,4-difluoro-5-methylphenyl)ethyl]pyridine

C14H12ClF2N — CID 113396606

IUPAC2-[2-chloro-2-(2,4-difluoro-5-methylphenyl)ethyl]pyridine
SMILESCc1cc(C(Cl)Cc2ccccn2)c(F)cc1F
InChIInChI=1S/C14H12ClF2N/c1-9-6-11(14(17)8-13(9)16)12(15)7-10-4-2-3-5-18-10/h2-6,8,12H,7H2,1H3
InChIKeyZSRDHKJZAMRHCL-UHFFFAOYSA-N
MW267.71 g/mol
LogP4.19
Rot. Bonds3

About 2-[2-chloro-2-(2,4-difluoro-5-methylphenyl)ethyl]pyridine

2-[2-chloro-2-(2,4-difluoro-5-methylphenyl)ethyl]pyridine (PubChem CID 113396606) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-[2-chloro-2-(2,4-difluoro-5-methylphenyl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-chloro-2-(2,4-difluoro-5-methylphenyl)ethyl]pyridine
PubChem CID113396606
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name2-[2-chloro-2-(2,4-difluoro-5-methylphenyl)ethyl]pyridine
SMILESCc1cc(C(Cl)Cc2ccccn2)c(F)cc1F
InChIInChI=1S/C14H12ClF2N/c1-9-6-11(14(17)8-13(9)16)12(15)7-10-4-2-3-5-18-10/h2-6,8,12H,7H2,1H3
InChIKeyZSRDHKJZAMRHCL-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-[2-chloro-2-(3-chloro-2-fluorophenyl)ethyl]pyridine
CID 81262929
2-[2-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine
CID 82878772
2-[2-chloro-2-(2,4,5-trimethoxyphenyl)ethyl]pyridine
CID 66460381
1-(3-fluoro-4-methylphenyl)-2-pyridin-2-ylethanamine
CID 43118868
2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine
CID 66461583
2-(2-chloro-3,3-dimethylbutyl)pyridine
CID 63203181
2-(2-chloro-3,3,3-trifluoropropyl)pyridine
CID 66461379
2-(2,4-difluorophenyl)-3-pyridin-2-ylpropan-1-amine
CID 83975191
1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 107513169
[1-(2-fluoro-3-methylphenyl)-2-pyridin-2-ylethyl]hydrazine
CID 105315397
2-ethylpyridine;1-fluoro-2-methylbenzene
CID 142160976
1-(3-fluoro-5-methylphenyl)-2-pyridin-2-ylethanamine
CID 79703275

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(2,4-difluoro-5-methylphenyl)ethyl]pyridine?
The IUPAC name of 2-[2-chloro-2-(2,4-difluoro-5-methylphenyl)ethyl]pyridine (CID 113396606) is 2-[2-chloro-2-(2,4-difluoro-5-methylphenyl)ethyl]pyridine.
What is the SMILES notation for 2-[2-chloro-2-(2,4-difluoro-5-methylphenyl)ethyl]pyridine?
The canonical SMILES for 2-[2-chloro-2-(2,4-difluoro-5-methylphenyl)ethyl]pyridine is Cc1cc(C(Cl)Cc2ccccn2)c(F)cc1F.
What is the InChIKey of 2-[2-chloro-2-(2,4-difluoro-5-methylphenyl)ethyl]pyridine?
The InChIKey is ZSRDHKJZAMRHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-9-6-11(14(17)8-13(9)16)12(15)7-10-4-2-3-5-18-10/h2-6,8,12H,7H2,1H3.
What are the key properties of 2-[2-chloro-2-(2,4-difluoro-5-methylphenyl)ethyl]pyridine?
2-[2-chloro-2-(2,4-difluoro-5-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 2-[2-chloro-2-(2,4-difluoro-5-methylphenyl)ethyl]pyridine is sourced from PubChem (CID 113396606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).