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

C13H6Cl2F3NO2 — CID 134623607

IUPAC3,5-dichloro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1c(Cl)cnc(-c2cccc(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C13H6Cl2F3NO2/c14-8-5-19-11(10(15)9(8)12(20)21)6-2-1-3-7(4-6)13(16,17)18/h1-5H,(H,20,21)
InChIKeyJTQDSWGLCNEPOV-UHFFFAOYSA-N
MW336.10 g/mol
LogP4.77
Rot. Bonds2

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

3,5-dichloro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid (PubChem CID 134623607) has the molecular formula C13H6Cl2F3NO2 and a molecular weight of 336.10 g/mol. Its IUPAC name is 3,5-dichloro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3,5-dichloro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
PubChem CID134623607
Molecular FormulaC13H6Cl2F3NO2
Molecular Weight336.10 g/mol
Exact Mass334.97
IUPAC Name3,5-dichloro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1c(Cl)cnc(-c2cccc(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C13H6Cl2F3NO2/c14-8-5-19-11(10(15)9(8)12(20)21)6-2-1-3-7(4-6)13(16,17)18/h1-5H,(H,20,21)
InChIKeyJTQDSWGLCNEPOV-UHFFFAOYSA-N
XLogP4.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.10
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623609
5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine
CID 134617505
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133092048
2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 172876886
6-chloro-7-methoxy-3-methyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 67383887
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxylic acid
CID 166784470
methyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134635513
2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid
CID 68945828
5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 133089636
methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 131871458
[5-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134625740
2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 53218025

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid?
The IUPAC name of 3,5-dichloro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid (CID 134623607) is 3,5-dichloro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3,5-dichloro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3,5-dichloro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid is O=C(O)c1c(Cl)cnc(-c2cccc(C(F)(F)F)c2)c1Cl.
What is the InChIKey of 3,5-dichloro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid?
The InChIKey is JTQDSWGLCNEPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F3NO2/c14-8-5-19-11(10(15)9(8)12(20)21)6-2-1-3-7(4-6)13(16,17)18/h1-5H,(H,20,21).
What are the key properties of 3,5-dichloro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid?
3,5-dichloro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid has a molecular weight of 336.10 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 134623607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).