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

C9H7F5N2O3 — CID 134668983

IUPAC5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESNCc1cnc(C(F)F)c(OC(F)(F)F)c1C(=O)O
InChIInChI=1S/C9H7F5N2O3/c10-7(11)5-6(19-9(12,13)14)4(8(17)18)3(1-15)2-16-5/h2,7H,1,15H2,(H,17,18)
InChIKeyCHMSAPVDSYRDSM-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.07
Rot. Bonds4

About 5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid

5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid (PubChem CID 134668983) has the molecular formula C9H7F5N2O3 and a molecular weight of 286.16 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
PubChem CID134668983
Molecular FormulaC9H7F5N2O3
Molecular Weight286.16 g/mol
Exact Mass286.04
IUPAC Name5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESNCc1cnc(C(F)F)c(OC(F)(F)F)c1C(=O)O
InChIInChI=1S/C9H7F5N2O3/c10-7(11)5-6(19-9(12,13)14)4(8(17)18)3(1-15)2-16-5/h2,7H,1,15H2,(H,17,18)
InChIKeyCHMSAPVDSYRDSM-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

ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668311
5-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134672296
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134678964
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118801499
2-(difluoromethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118842969
2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118842473
[6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666595
6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118803856
2-(difluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118826106
4-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118812999
5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134672585
methyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134660809

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid?
The IUPAC name of 5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid (CID 134668983) is 5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid is NCc1cnc(C(F)F)c(OC(F)(F)F)c1C(=O)O.
What is the InChIKey of 5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid?
The InChIKey is CHMSAPVDSYRDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O3/c10-7(11)5-6(19-9(12,13)14)4(8(17)18)3(1-15)2-16-5/h2,7H,1,15H2,(H,17,18).
What are the key properties of 5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid?
5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-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 5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 134668983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).