5-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C9H6F6N2O3 — CID 134682041

IUPAC5-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESNCc1cc(C(=O)O)c(OC(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H6F6N2O3/c10-8(11,12)5-3(2-16)1-4(7(18)19)6(17-5)20-9(13,14)15/h1H,2,16H2,(H,18,19)
InChIKeyLOEPMEMUBHHSKH-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.16
Rot. Bonds3

About 5-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid

5-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 134682041) has the molecular formula C9H6F6N2O3 and a molecular weight of 304.15 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID134682041
Molecular FormulaC9H6F6N2O3
Molecular Weight304.15 g/mol
Exact Mass304.03
IUPAC Name5-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESNCc1cc(C(=O)O)c(OC(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H6F6N2O3/c10-8(11,12)5-3(2-16)1-4(7(18)19)6(17-5)20-9(13,14)15/h1H,2,16H2,(H,18,19)
InChIKeyLOEPMEMUBHHSKH-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

5-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134678140
ethyl 5-(bromomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134682872
2-[4-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134682200
2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134678169
2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 134667673
4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118801555
2-[3-fluoro-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 134659573
5-(bromomethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134679397
ethyl 5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134660436
methyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134683021
2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 119009677
2-(bromomethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134672483

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 134682041) is 5-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid is NCc1cc(C(=O)O)c(OC(F)(F)F)nc1C(F)(F)F.
What is the InChIKey of 5-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is LOEPMEMUBHHSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6N2O3/c10-8(11,12)5-3(2-16)1-4(7(18)19)6(17-5)20-9(13,14)15/h1H,2,16H2,(H,18,19).
What are the key properties of 5-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
5-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-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 5-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 134682041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).