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

C13H10F3N3O2 — CID 114324570

IUPAC2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNc2ncccc2C(F)(F)F)c1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)10-2-1-4-18-11(10)19-7-9-6-8(12(20)21)3-5-17-9/h1-6H,7H2,(H,18,19)(H,20,21)
InChIKeyHHZLWHPCRHBASH-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.81
Rot. Bonds4

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

2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyridine-4-carboxylic acid (PubChem CID 114324570) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyridine-4-carboxylic acid
PubChem CID114324570
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Name2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNc2ncccc2C(F)(F)F)c1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)10-2-1-4-18-11(10)19-7-9-6-8(12(20)21)3-5-17-9/h1-6H,7H2,(H,18,19)(H,20,21)
InChIKeyHHZLWHPCRHBASH-UHFFFAOYSA-N
XLogP2.81
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pyridine-4-carboxylic acid
CID 106534944
2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid
CID 114324547
2-[[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyridine-4-carboxylic acid
CID 103385145
2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324244
2,2,3-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 65266327
2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
CID 61266117
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
N-(furan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 115620858
2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324145
2-[[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]methyl]pyridine-4-carboxylic acid
CID 114324501
N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 29039345
3-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]butanoic acid
CID 65226846

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyridine-4-carboxylic acid (CID 114324570) is 2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(CNc2ncccc2C(F)(F)F)c1.
What is the InChIKey of 2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is HHZLWHPCRHBASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c14-13(15,16)10-2-1-4-18-11(10)19-7-9-6-8(12(20)21)3-5-17-9/h1-6H,7H2,(H,18,19)(H,20,21).
What are the key properties of 2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyridine-4-carboxylic acid?
2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 297.24 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).