4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid

C14H11F3N2O2 — CID 66328048

IUPAC4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNc2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)11-5-6-18-12(7-11)19-8-9-1-3-10(4-2-9)13(20)21/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyGECRUEJBPTXAHI-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.41
Rot. Bonds4

About 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid

4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid (PubChem CID 66328048) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid
PubChem CID66328048
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNc2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)11-5-6-18-12(7-11)19-8-9-1-3-10(4-2-9)13(20)21/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyGECRUEJBPTXAHI-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

N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 107233201
N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66329838
N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330659
2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109169562
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133358464
2-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetic acid
CID 79456751
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133359241
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
4-[[(6-chloropyrimidin-4-yl)amino]methyl]benzoic acid
CID 153383994
2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 62880130
4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]benzoic acid
CID 175134386
4-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]benzoic acid
CID 82795240

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid (CID 66328048) is 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNc2cc(C(F)(F)F)ccn2)cc1.
What is the InChIKey of 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid?
The InChIKey is GECRUEJBPTXAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)11-5-6-18-12(7-11)19-8-9-1-3-10(4-2-9)13(20)21/h1-7H,8H2,(H,18,19)(H,20,21).
What are the key properties of 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid?
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic 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 4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid is sourced from PubChem (CID 66328048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).