2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid

C9H7F5N2O3 — CID 118836960

IUPAC2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESNCc1nc(C(F)F)cc(OC(F)(F)F)c1C(=O)O
InChIInChI=1S/C9H7F5N2O3/c10-7(11)3-1-5(19-9(12,13)14)6(8(17)18)4(2-15)16-3/h1,7H,2,15H2,(H,17,18)
InChIKeyAGANQXCRPDBJMM-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.07
Rot. Bonds4

About 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid

2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid (PubChem CID 118836960) has the molecular formula C9H7F5N2O3 and a molecular weight of 286.16 g/mol. Its IUPAC name is 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
PubChem CID118836960
Molecular FormulaC9H7F5N2O3
Molecular Weight286.16 g/mol
Exact Mass286.04
IUPAC Name2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESNCc1nc(C(F)F)cc(OC(F)(F)F)c1C(=O)O
InChIInChI=1S/C9H7F5N2O3/c10-7(11)3-1-5(19-9(12,13)14)6(8(17)18)4(2-15)16-3/h1,7H,2,15H2,(H,17,18)
InChIKeyAGANQXCRPDBJMM-UHFFFAOYSA-N
XLogP2.07
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134661435
2-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134662813
2-[2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118820188
2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134672673
2-[3-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134673140
4-amino-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118851166
2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
CID 118823621
6-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134680955
2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118842473
2-[6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670201
ethyl 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 133084605
6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118819823

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid (CID 118836960) is 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid is NCc1nc(C(F)F)cc(OC(F)(F)F)c1C(=O)O.
What is the InChIKey of 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid?
The InChIKey is AGANQXCRPDBJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O3/c10-7(11)3-1-5(19-9(12,13)14)6(8(17)18)4(2-15)16-3/h1,7H,2,15H2,(H,17,18).
What are the key properties of 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid?
2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid has a molecular weight of 286.16 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 118836960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).