2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine

C12H6Cl2F3N — CID 118815216

IUPAC2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccccc1-c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H6Cl2F3N/c13-10-5-7(6-18-11(10)14)8-3-1-2-4-9(8)12(15,16)17/h1-6H
InChIKeyKBZPKSREMYRNHO-UHFFFAOYSA-N
MW292.09 g/mol
LogP5.07
Rot. Bonds1

About 2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine

2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine (PubChem CID 118815216) has the molecular formula C12H6Cl2F3N and a molecular weight of 292.09 g/mol. Its IUPAC name is 2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine
PubChem CID118815216
Molecular FormulaC12H6Cl2F3N
Molecular Weight292.09 g/mol
Exact Mass290.98
IUPAC Name2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccccc1-c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H6Cl2F3N/c13-10-5-7(6-18-11(10)14)8-3-1-2-4-9(8)12(15,16)17/h1-6H
InChIKeyKBZPKSREMYRNHO-UHFFFAOYSA-N
XLogP5.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.09
LogP ≤ 55.07
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-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 118998520
2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine
CID 145031967
2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine
CID 134624057
3,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridine
CID 134623597
3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 134623343
5-chloro-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole
CID 117258904
2-[3,5-bis[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134623346
4-chloro-2-[2-(trifluoromethyl)phenyl]benzenethiol
CID 151006940
2-chloro-4-[2-(trifluoromethyl)phenyl]benzenesulfonyl chloride
CID 165350148
[5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine
CID 131866305
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene
CID 118846513

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine (CID 118815216) is 2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccccc1-c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine?
The InChIKey is KBZPKSREMYRNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3N/c13-10-5-7(6-18-11(10)14)8-3-1-2-4-9(8)12(15,16)17/h1-6H.
What are the key properties of 2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine?
2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 292.09 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 118815216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).