2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine

C12H6Cl2F3N — CID 119007781

IUPAC2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(Cl)cnc2Cl)cc1
InChIInChI=1S/C12H6Cl2F3N/c13-9-5-10(11(14)18-6-9)7-1-3-8(4-2-7)12(15,16)17/h1-6H
InChIKeyDDYJJOBEKZDQHE-UHFFFAOYSA-N
MW292.09 g/mol
LogP5.07
Rot. Bonds1

About 2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine

2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 119007781) has the molecular formula C12H6Cl2F3N and a molecular weight of 292.09 g/mol. Its IUPAC name is 2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID119007781
Molecular FormulaC12H6Cl2F3N
Molecular Weight292.09 g/mol
Exact Mass290.98
IUPAC Name2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(Cl)cnc2Cl)cc1
InChIInChI=1S/C12H6Cl2F3N/c13-9-5-10(11(14)18-6-9)7-1-3-8(4-2-7)12(15,16)17/h1-6H
InChIKeyDDYJJOBEKZDQHE-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-iodo-3-[4-(trifluoromethyl)phenyl]pyridine
CID 119000682
2,5-dichloro-3-pyridin-4-ylpyridine
CID 46315409
2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134629724
2,5-dichloro-3-(3,5-dichlorophenyl)pyridine
CID 119015599
6-chloro-4-[4-(trifluoromethyl)phenyl]pyridin-3-ol
CID 119008086
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine
CID 134617505
3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine
CID 142779110
5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 134629506
2-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)pyridine
CID 46312062
1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene
CID 57139215
6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 82337728

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine (CID 119007781) is 2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2cc(Cl)cnc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is DDYJJOBEKZDQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3N/c13-9-5-10(11(14)18-6-9)7-1-3-8(4-2-7)12(15,16)17/h1-6H.
What are the key properties of 2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine?
2,5-dichloro-3-[4-(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 2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 119007781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).