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

C8H8F3N3O3 — CID 133085890

IUPAC5-amino-6-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESNCc1nc(C(=O)O)c(OC(F)(F)F)cc1N
InChIInChI=1S/C8H8F3N3O3/c9-8(10,11)17-5-1-3(13)4(2-12)14-6(5)7(15)16/h1H,2,12-13H2,(H,15,16)
InChIKeyATAXNEOPWIGCGK-UHFFFAOYSA-N
MW251.16 g/mol
LogP0.72
Rot. Bonds3

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

5-amino-6-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 133085890) has the molecular formula C8H8F3N3O3 and a molecular weight of 251.16 g/mol. Its IUPAC name is 5-amino-6-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID133085890
Molecular FormulaC8H8F3N3O3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name5-amino-6-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESNCc1nc(C(=O)O)c(OC(F)(F)F)cc1N
InChIInChI=1S/C8H8F3N3O3/c9-8(10,11)17-5-1-3(13)4(2-12)14-6(5)7(15)16/h1H,2,12-13H2,(H,15,16)
InChIKeyATAXNEOPWIGCGK-UHFFFAOYSA-N
XLogP0.72
TPSA111.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118819823
2-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-amine
CID 133086334
2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 119025293
2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118836960
2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134678169
methyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 133085924
6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134661368
2-[6-(aminomethyl)-5-methyl-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118836988
6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118814679
6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118992472
6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxamide
CID 118808662
ethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 133085466

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 133085890) is 5-amino-6-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid is NCc1nc(C(=O)O)c(OC(F)(F)F)cc1N.
What is the InChIKey of 5-amino-6-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is ATAXNEOPWIGCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3/c9-8(10,11)17-5-1-3(13)4(2-12)14-6(5)7(15)16/h1H,2,12-13H2,(H,15,16).
What are the key properties of 5-amino-6-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
5-amino-6-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid has a molecular weight of 251.16 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 133085890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).