2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine

C12H6ClF4N — CID 118997710

IUPAC2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine
SMILESFc1c(-c2ccccc2C(F)(F)F)ccnc1Cl
InChIInChI=1S/C12H6ClF4N/c13-11-10(14)8(5-6-18-11)7-3-1-2-4-9(7)12(15,16)17/h1-6H
InChIKeyHBRRCQVJGGAHFB-UHFFFAOYSA-N
MW275.63 g/mol
LogP4.56
Rot. Bonds1

About 2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine

2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine (PubChem CID 118997710) has the molecular formula C12H6ClF4N and a molecular weight of 275.63 g/mol. Its IUPAC name is 2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine
PubChem CID118997710
Molecular FormulaC12H6ClF4N
Molecular Weight275.63 g/mol
Exact Mass275.01
IUPAC Name2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine
SMILESFc1c(-c2ccccc2C(F)(F)F)ccnc1Cl
InChIInChI=1S/C12H6ClF4N/c13-11-10(14)8(5-6-18-11)7-3-1-2-4-9(7)12(15,16)17/h1-6H
InChIKeyHBRRCQVJGGAHFB-UHFFFAOYSA-N
XLogP4.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.63
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(2,3-difluorophenyl)-3-fluoropyridine
CID 119022782
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-chloro-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
CID 119019124
4-fluoro-3,5-bis[2-(trifluoromethyl)phenyl]pyridine
CID 133089510
1-chloro-8-(trifluoromethyl)isoquinoline
CID 84819746
2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 174722117
1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene
CID 134617391
3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine
CID 58947587
4-fluoro-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine
CID 118850193
2,3-dichloro-4-(trifluoromethyl)pyridine
CID 15132714
1-chloro-3-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-5-amine
CID 117250747
2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134620153

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine (CID 118997710) is 2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine is Fc1c(-c2ccccc2C(F)(F)F)ccnc1Cl.
What is the InChIKey of 2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine?
The InChIKey is HBRRCQVJGGAHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF4N/c13-11-10(14)8(5-6-18-11)7-3-1-2-4-9(7)12(15,16)17/h1-6H.
What are the key properties of 2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine?
2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 275.63 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 118997710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).