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

C12H8ClF3N2O2 — CID 140555410

IUPAC2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccnc(-c2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C12H7F3N2O2.ClH/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);1H
InChIKeyPGNTVTFOHQTWDW-UHFFFAOYSA-N
MW304.66 g/mol
LogP3.28
Rot. Bonds2

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

2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid;hydrochloride (PubChem CID 140555410) has the molecular formula C12H8ClF3N2O2 and a molecular weight of 304.66 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid;hydrochloride
PubChem CID140555410
Molecular FormulaC12H8ClF3N2O2
Molecular Weight304.66 g/mol
Exact Mass304.02
IUPAC Name2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccnc(-c2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C12H7F3N2O2.ClH/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);1H
InChIKeyPGNTVTFOHQTWDW-UHFFFAOYSA-N
XLogP3.28
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid
CID 140555411
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
nitrous acid;2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 175527082
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
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(furan-3-yl)pyridine-4-carboxylic acid
CID 91623804
4-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 178126543

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid;hydrochloride?
The IUPAC name of 2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid;hydrochloride (CID 140555410) is 2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid;hydrochloride is Cl.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;hydrochloride?
The InChIKey is PGNTVTFOHQTWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O2.ClH/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);1H.
What are the key properties of 2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid;hydrochloride?
2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid;hydrochloride has a molecular weight of 304.66 g/mol, XLogP of 3.28, 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;hydrochloride is sourced from PubChem (CID 140555410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).