2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine

C14H9ClF5N — CID 66460997

IUPAC2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H9ClF5N/c1-6-3-2-4-21-8(6)5-7(15)9-10(16)12(18)14(20)13(19)11(9)17/h2-4,7H,5H2,1H3
InChIKeyNQZBXJNUCHZLPX-UHFFFAOYSA-N
MW321.68 g/mol
LogP4.61
Rot. Bonds3

About 2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine

2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine (PubChem CID 66460997) has the molecular formula C14H9ClF5N and a molecular weight of 321.68 g/mol. Its IUPAC name is 2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine
PubChem CID66460997
Molecular FormulaC14H9ClF5N
Molecular Weight321.68 g/mol
Exact Mass321.03
IUPAC Name2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H9ClF5N/c1-6-3-2-4-21-8(6)5-7(15)9-10(16)12(18)14(20)13(19)11(9)17/h2-4,7H,5H2,1H3
InChIKeyNQZBXJNUCHZLPX-UHFFFAOYSA-N
XLogP4.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.68
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine
CID 66460598
2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine
CID 66460200
2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine
CID 66460202
2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine
CID 66458987
2-[2-chloro-2-(2-chlorofuran-3-yl)ethyl]-3-methylpyridine
CID 106690733
2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine
CID 82819201
2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine
CID 66459993
2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-3-methylpyridine
CID 81324998
2-[2-(4-butoxyphenyl)-2-chloroethyl]-3-methylpyridine
CID 66459992
2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine
CID 107995639
1-(4-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447073
3-methyl-2-[2-(2,3,4-trifluorophenyl)propyl]pyridine
CID 176548848

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine?
The IUPAC name of 2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine (CID 66460997) is 2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine?
The canonical SMILES for 2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine is Cc1cccnc1CC(Cl)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine?
The InChIKey is NQZBXJNUCHZLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF5N/c1-6-3-2-4-21-8(6)5-7(15)9-10(16)12(18)14(20)13(19)11(9)17/h2-4,7H,5H2,1H3.
What are the key properties of 2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine?
2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine has a molecular weight of 321.68 g/mol, XLogP of 4.61, 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-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine is sourced from PubChem (CID 66460997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).