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

C9H7F5N2O3 — CID 134661368

IUPAC6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESNCc1cc(C(F)F)c(OC(F)(F)F)c(C(=O)O)n1
InChIInChI=1S/C9H7F5N2O3/c10-7(11)4-1-3(2-15)16-5(8(17)18)6(4)19-9(12,13)14/h1,7H,2,15H2,(H,17,18)
InChIKeyWFXKHGXXSCHJPE-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.07
Rot. Bonds4

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

6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 134661368) has the molecular formula C9H7F5N2O3 and a molecular weight of 286.16 g/mol. Its IUPAC name is 6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID134661368
Molecular FormulaC9H7F5N2O3
Molecular Weight286.16 g/mol
Exact Mass286.04
IUPAC Name6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESNCc1cc(C(F)F)c(OC(F)(F)F)c(C(=O)O)n1
InChIInChI=1S/C9H7F5N2O3/c10-7(11)4-1-3(2-15)16-5(8(17)18)6(4)19-9(12,13)14/h1,7H,2,15H2,(H,17,18)
InChIKeyWFXKHGXXSCHJPE-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

6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134669897
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118852040
[4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134668794
2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118842473
2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118838270
6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134665188
ethyl 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134663608
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134677793
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134661443
6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118992472
6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118819890
6-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134672327

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 134661368) is 6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid is NCc1cc(C(F)F)c(OC(F)(F)F)c(C(=O)O)n1.
What is the InChIKey of 6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is WFXKHGXXSCHJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O3/c10-7(11)4-1-3(2-15)16-5(8(17)18)6(4)19-9(12,13)14/h1,7H,2,15H2,(H,17,18).
What are the key properties of 6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-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 6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 134661368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).