2-amino-6-pyridin-2-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride

C12H9ClF3N3O2 — CID 174494020

IUPAC2-amino-6-pyridin-2-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride
SMILESCl.Nc1nc(-c2ccccn2)c(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C12H8F3N3O2.ClH/c13-12(14,15)7-5-6(11(19)20)10(16)18-9(7)8-3-1-2-4-17-8;/h1-5H,(H2,16,18)(H,19,20);1H
InChIKeyDSALTUHKNHWPMH-UHFFFAOYSA-N
MW319.67 g/mol
LogP2.86
Rot. Bonds2

About 2-amino-6-pyridin-2-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride

2-amino-6-pyridin-2-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride (PubChem CID 174494020) has the molecular formula C12H9ClF3N3O2 and a molecular weight of 319.67 g/mol. Its IUPAC name is 2-amino-6-pyridin-2-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-6-pyridin-2-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride
PubChem CID174494020
Molecular FormulaC12H9ClF3N3O2
Molecular Weight319.67 g/mol
Exact Mass319.03
IUPAC Name2-amino-6-pyridin-2-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride
SMILESCl.Nc1nc(-c2ccccn2)c(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C12H8F3N3O2.ClH/c13-12(14,15)7-5-6(11(19)20)10(16)18-9(7)8-3-1-2-4-17-8;/h1-5H,(H2,16,18)(H,19,20);1H
InChIKeyDSALTUHKNHWPMH-UHFFFAOYSA-N
XLogP2.86
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.67
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxylic acid
CID 59811149
2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 175747170
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine
CID 23443905
2-(2-pyridin-2-yl-3-pyridinyl)benzoic acid
CID 141463782
2-[4,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine
CID 20807365
5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid
CID 136921451
2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carboxylic acid
CID 43242335
2-fluoro-5-pyridin-2-ylbenzoic acid
CID 63679251
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
4-pyridin-2-yl-2,6-bis(trifluoromethyl)pyridine
CID 122219942

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-pyridin-2-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 2-amino-6-pyridin-2-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride (CID 174494020) is 2-amino-6-pyridin-2-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-amino-6-pyridin-2-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2-amino-6-pyridin-2-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride is Cl.Nc1nc(-c2ccccn2)c(C(F)(F)F)cc1C(=O)O.
What is the InChIKey of 2-amino-6-pyridin-2-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is DSALTUHKNHWPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2.ClH/c13-12(14,15)7-5-6(11(19)20)10(16)18-9(7)8-3-1-2-4-17-8;/h1-5H,(H2,16,18)(H,19,20);1H.
What are the key properties of 2-amino-6-pyridin-2-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride?
2-amino-6-pyridin-2-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 319.67 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-pyridin-2-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 174494020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).