2-(1-chloroethenyl)-3-(trifluoromethyl)pyridine

C8H5ClF3N — CID 86191725

IUPAC2-(1-chloroethenyl)-3-(trifluoromethyl)pyridine
SMILESC=C(Cl)c1ncccc1C(F)(F)F
InChIInChI=1S/C8H5ClF3N/c1-5(9)7-6(8(10,11)12)3-2-4-13-7/h2-4H,1H2
InChIKeyGRBFSPSGKNBQSV-UHFFFAOYSA-N
MW207.58 g/mol
LogP3.31
Rot. Bonds1

About 2-(1-chloroethenyl)-3-(trifluoromethyl)pyridine

2-(1-chloroethenyl)-3-(trifluoromethyl)pyridine (PubChem CID 86191725) has the molecular formula C8H5ClF3N and a molecular weight of 207.58 g/mol. Its IUPAC name is 2-(1-chloroethenyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(1-chloroethenyl)-3-(trifluoromethyl)pyridine
PubChem CID86191725
Molecular FormulaC8H5ClF3N
Molecular Weight207.58 g/mol
Exact Mass207.01
IUPAC Name2-(1-chloroethenyl)-3-(trifluoromethyl)pyridine
SMILESC=C(Cl)c1ncccc1C(F)(F)F
InChIInChI=1S/C8H5ClF3N/c1-5(9)7-6(8(10,11)12)3-2-4-13-7/h2-4H,1H2
InChIKeyGRBFSPSGKNBQSV-UHFFFAOYSA-N
XLogP3.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.58
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

pyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone
CID 139764799
N-methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 171925814
3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 52983947
2-methyl-3-(trifluoromethyl)pyridine
CID 14761443
(3,3-difluoroazetidin-1-yl)-[3-(trifluoromethyl)-2-pyridinyl]methanone
CID 175772486
methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 162621627
2-(1-chloroethenyl)-3-(3-methylbut-1-en-2-yl)pyridine
CID 155741523
2-(2-methylprop-2-enylsulfanyl)-3-(trifluoromethyl)pyridine
CID 143644979
2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]-3-(trifluoromethyl)pyridine
CID 139563388
2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101
methyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634494
3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid
CID 61396205

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethenyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(1-chloroethenyl)-3-(trifluoromethyl)pyridine (CID 86191725) is 2-(1-chloroethenyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(1-chloroethenyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(1-chloroethenyl)-3-(trifluoromethyl)pyridine is C=C(Cl)c1ncccc1C(F)(F)F.
What is the InChIKey of 2-(1-chloroethenyl)-3-(trifluoromethyl)pyridine?
The InChIKey is GRBFSPSGKNBQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N/c1-5(9)7-6(8(10,11)12)3-2-4-13-7/h2-4H,1H2.
What are the key properties of 2-(1-chloroethenyl)-3-(trifluoromethyl)pyridine?
2-(1-chloroethenyl)-3-(trifluoromethyl)pyridine has a molecular weight of 207.58 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethenyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 86191725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).