2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid

C12H7F3N2O2 — CID 140555411

IUPAC2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C12H7F3N2O2/c13-12(14,15)10-2-1-8(6-17-10)9-5-7(11(18)19)3-4-16-9/h1-6H,(H,18,19)
InChIKeyGKTMKJVWGDEPQP-UHFFFAOYSA-N
MW268.19 g/mol
LogP2.86
Rot. Bonds2

About 2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid

2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid (PubChem CID 140555411) has the molecular formula C12H7F3N2O2 and a molecular weight of 268.19 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid
PubChem CID140555411
Molecular FormulaC12H7F3N2O2
Molecular Weight268.19 g/mol
Exact Mass268.05
IUPAC Name2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C12H7F3N2O2/c13-12(14,15)10-2-1-8(6-17-10)9-5-7(11(18)19)3-4-16-9/h1-6H,(H,18,19)
InChIKeyGKTMKJVWGDEPQP-UHFFFAOYSA-N
XLogP2.86
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid;hydrochloride
CID 140555410
2-(2-phenyl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 141215419
[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methanamine
CID 118222664
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-(4-ethoxyphenyl)pyridine-4-carboxylic acid
CID 50999400
2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole-5-carboxylic acid
CID 58230867
4-amino-3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid
CID 151240746
2-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid
CID 53224682
nitrous acid;2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 175527082
2-(furan-3-yl)pyridine-4-carboxylic acid
CID 91623804
4-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 178126543
4-(aminomethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 141441781

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid (CID 140555411) is 2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2ccc(C(F)(F)F)nc2)c1.
What is the InChIKey of 2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid?
The InChIKey is GKTMKJVWGDEPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O2/c13-12(14,15)10-2-1-8(6-17-10)9-5-7(11(18)19)3-4-16-9/h1-6H,(H,18,19).
What are the key properties of 2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid?
2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid has a molecular weight of 268.19 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 140555411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).