6-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid

C8H7F3N2O4 — CID 118808776

IUPAC6-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
SMILESNCc1[nH]cc(C(=O)O)c(=O)c1OC(F)(F)F
InChIInChI=1S/C8H7F3N2O4/c9-8(10,11)17-6-4(1-12)13-2-3(5(6)14)7(15)16/h2H,1,12H2,(H,13,14)(H,15,16)
InChIKeyQQPJFPXCLIULTF-UHFFFAOYSA-N
MW252.15 g/mol
LogP0.43
Rot. Bonds3

About 6-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid

6-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid (PubChem CID 118808776) has the molecular formula C8H7F3N2O4 and a molecular weight of 252.15 g/mol. Its IUPAC name is 6-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
PubChem CID118808776
Molecular FormulaC8H7F3N2O4
Molecular Weight252.15 g/mol
Exact Mass252.04
IUPAC Name6-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
SMILESNCc1[nH]cc(C(=O)O)c(=O)c1OC(F)(F)F
InChIInChI=1S/C8H7F3N2O4/c9-8(10,11)17-6-4(1-12)13-2-3(5(6)14)7(15)16/h2H,1,12H2,(H,13,14)(H,15,16)
InChIKeyQQPJFPXCLIULTF-UHFFFAOYSA-N
XLogP0.43
TPSA105.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
CID 134677290
5-(fluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 134679059
ethyl 2-[6-(chloromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134680292
methyl 2-[3-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134666451
5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 134667310
5-amino-4-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 133086208
4-amino-2-bromo-3-(trifluoromethoxy)benzoic acid
CID 118834468
6-methoxy-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonyl chloride
CID 134666645
4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134666863
2-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylic acid
CID 118826861
2-amino-3-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 119023237
4-amino-6-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 118834977

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid (CID 118808776) is 6-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid is NCc1[nH]cc(C(=O)O)c(=O)c1OC(F)(F)F.
What is the InChIKey of 6-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The InChIKey is QQPJFPXCLIULTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O4/c9-8(10,11)17-6-4(1-12)13-2-3(5(6)14)7(15)16/h2H,1,12H2,(H,13,14)(H,15,16).
What are the key properties of 6-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
6-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid has a molecular weight of 252.15 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118808776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).