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

C9H7F5N2O3 — CID 118842473

IUPAC2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESNCc1ncc(C(F)F)c(C(=O)O)c1OC(F)(F)F
InChIInChI=1S/C9H7F5N2O3/c10-7(11)3-2-16-4(1-15)6(5(3)8(17)18)19-9(12,13)14/h2,7H,1,15H2,(H,17,18)
InChIKeyHVWCZBNILRTPIE-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.07
Rot. Bonds4

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

2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid (PubChem CID 118842473) has the molecular formula C9H7F5N2O3 and a molecular weight of 286.16 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
PubChem CID118842473
Molecular FormulaC9H7F5N2O3
Molecular Weight286.16 g/mol
Exact Mass286.04
IUPAC Name2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESNCc1ncc(C(F)F)c(C(=O)O)c1OC(F)(F)F
InChIInChI=1S/C9H7F5N2O3/c10-7(11)3-2-16-4(1-15)6(5(3)8(17)18)19-9(12,13)14/h2,7H,1,15H2,(H,17,18)
InChIKeyHVWCZBNILRTPIE-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-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118827001
2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 133085035
2-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118804455
methyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134661378
4-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118812999
5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134668983
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118848308
[5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 134672562
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 118826646
methyl 2-(chloromethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134668978
ethyl 2-[3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134659427
2-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 134672699

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid (CID 118842473) is 2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid is NCc1ncc(C(F)F)c(C(=O)O)c1OC(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid?
The InChIKey is HVWCZBNILRTPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O3/c10-7(11)3-2-16-4(1-15)6(5(3)8(17)18)19-9(12,13)14/h2,7H,1,15H2,(H,17,18).
What are the key properties of 2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid?
2-(aminomethyl)-5-(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 2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 118842473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).