6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid

C14H11F3N2O2 — CID 62879966

IUPAC6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)10-5-2-1-4-9(10)8-18-12-7-3-6-11(19-12)13(20)21/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyCLACKLMHODSCDX-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.41
Rot. Bonds4

About 6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid

6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid (PubChem CID 62879966) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid
PubChem CID62879966
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)10-5-2-1-4-9(10)8-18-12-7-3-6-11(19-12)13(20)21/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyCLACKLMHODSCDX-UHFFFAOYSA-N
XLogP3.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(naphthalen-1-ylmethylamino)pyridine-2-carboxylic acid
CID 62369628
6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide
CID 79109187
6-[(2-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-2-carboxylic acid
CID 122053220
6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid
CID 115520118
2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 62880800
2-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571494
6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyridine-2-carboxylic acid
CID 122054456
5-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-thiazole-4-carboxylic acid
CID 115424282
6-[[2-(aminomethyl)phenyl]methylamino]pyridine-2-carboxamide
CID 64590181
6-[[2-(2-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 63641670
2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 64830673
6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid
CID 63644130

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid (CID 62879966) is 6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NCc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid?
The InChIKey is CLACKLMHODSCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)10-5-2-1-4-9(10)8-18-12-7-3-6-11(19-12)13(20)21/h1-7H,8H2,(H,18,19)(H,20,21).
What are the key properties of 6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid?
6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid has a molecular weight of 296.25 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 62879966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).