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

C9H6F6N2O3 — CID 134672699

IUPAC2-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESNCc1ncc(OC(F)(F)F)c(C(=O)O)c1C(F)(F)F
InChIInChI=1S/C9H6F6N2O3/c10-8(11,12)6-3(1-16)17-2-4(5(6)7(18)19)20-9(13,14)15/h2H,1,16H2,(H,18,19)
InChIKeyBFDQAQKBCKMLMG-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.16
Rot. Bonds3

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

2-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid (PubChem CID 134672699) has the molecular formula C9H6F6N2O3 and a molecular weight of 304.15 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid
PubChem CID134672699
Molecular FormulaC9H6F6N2O3
Molecular Weight304.15 g/mol
Exact Mass304.03
IUPAC Name2-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESNCc1ncc(OC(F)(F)F)c(C(=O)O)c1C(F)(F)F
InChIInChI=1S/C9H6F6N2O3/c10-8(11,12)6-3(1-16)17-2-4(5(6)7(18)19)20-9(13,14)15/h2H,1,16H2,(H,18,19)
InChIKeyBFDQAQKBCKMLMG-UHFFFAOYSA-N
XLogP2.16
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118848308
6-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 134682245
2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118842473
2-[3-hydroxy-5-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134678704
2-[4-fluoro-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118839013
ethyl 3-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134682897
[2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118835408
2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118836960
2-(aminomethyl)-4-methyl-5-(trifluoromethoxy)pyridin-3-amine
CID 133086262
2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 130113015
[5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 134672562
2-(aminomethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118825651

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid (CID 134672699) is 2-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid is NCc1ncc(OC(F)(F)F)c(C(=O)O)c1C(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is BFDQAQKBCKMLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6N2O3/c10-8(11,12)6-3(1-16)17-2-4(5(6)7(18)19)20-9(13,14)15/h2H,1,16H2,(H,18,19).
What are the key properties of 2-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid?
2-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid has a molecular weight of 304.15 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 134672699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).