2-(furan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C12H9F3N2O3 — CID 79876687

IUPAC2-(furan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)nc1NCc1ccco1
InChIInChI=1S/C12H9F3N2O3/c13-12(14,15)9-4-3-8(11(18)19)10(17-9)16-6-7-2-1-5-20-7/h1-5H,6H2,(H,16,17)(H,18,19)
InChIKeyPUWNZTHQDQOCIF-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.00
Rot. Bonds4

About 2-(furan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-(furan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 79876687) has the molecular formula C12H9F3N2O3 and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID79876687
Molecular FormulaC12H9F3N2O3
Molecular Weight286.21 g/mol
Exact Mass286.06
IUPAC Name2-(furan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)nc1NCc1ccco1
InChIInChI=1S/C12H9F3N2O3/c13-12(14,15)9-4-3-8(11(18)19)10(17-9)16-6-7-2-1-5-20-7/h1-5H,6H2,(H,16,17)(H,18,19)
InChIKeyPUWNZTHQDQOCIF-UHFFFAOYSA-N
XLogP3.00
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(furan-2-ylmethyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 859261
(Azepan-1-Yl)(2-{[(Furan-2-Yl)methyl]amino}-6-Methylpyridin-3-Yl)methanone
CID 59625393
N-(furan-2-ylmethyl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 44403643
2-Furan-2-yl-7-methyl-1H-(1,8)naphthyridin-4-one
CID 13285535
3-[(2-ethylpiperidin-1-yl)carbonyl]-N-(2-furylmethyl)-6-methylpyridin-2-amine
CID 59625236
N-(2-furylmethyl)-5-(trifluoromethyl)-2-pyridinamine
CID 2989169
2-[(2-Furylmethyl)amino]nicotinic acid
CID 28330466
2-(furan-2-yl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 42598050
2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 71523886
N-(furan-2-ylmethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide
CID 126473184
6-(furan-2-yl)-N-methyl-2-morpholin-4-ylpyridine-3-carboxamide
CID 126473932
N,N-diethyl-2-(furan-2-ylmethylamino)-6-methylpyridine-3-carboxamide
CID 134135438

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(furan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 79876687) is 2-(furan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(furan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(C(F)(F)F)nc1NCc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is PUWNZTHQDQOCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O3/c13-12(14,15)9-4-3-8(11(18)19)10(17-9)16-6-7-2-1-5-20-7/h1-5H,6H2,(H,16,17)(H,18,19).
What are the key properties of 2-(furan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(furan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 286.21 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79876687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).