4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid

C9H7F5N2O3 — CID 118801555

IUPAC4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESNCc1cc(C(=O)O)nc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C9H7F5N2O3/c10-6(11)5-3(2-15)1-4(8(17)18)16-7(5)19-9(12,13)14/h1,6H,2,15H2,(H,17,18)
InChIKeyKYKZNCQGEVRVAU-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.07
Rot. Bonds4

About 4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid

4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 118801555) has the molecular formula C9H7F5N2O3 and a molecular weight of 286.16 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID118801555
Molecular FormulaC9H7F5N2O3
Molecular Weight286.16 g/mol
Exact Mass286.04
IUPAC Name4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESNCc1cc(C(=O)O)nc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C9H7F5N2O3/c10-6(11)5-3(2-15)1-4(8(17)18)16-7(5)19-9(12,13)14/h1,6H,2,15H2,(H,17,18)
InChIKeyKYKZNCQGEVRVAU-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

methyl 4-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134665177
2-[4-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134682629
2-[4-(aminomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134672739
3-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134681070
5-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134678140
2-[5-(aminomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134668988
5-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134682041
methyl 4-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668130
4-(difluoromethyl)-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118805923
4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134672595
[2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118824071
methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134682211

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 118801555) is 4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid is NCc1cc(C(=O)O)nc(OC(F)(F)F)c1C(F)F.
What is the InChIKey of 4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is KYKZNCQGEVRVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O3/c10-6(11)5-3(2-15)1-4(8(17)18)16-7(5)19-9(12,13)14/h1,6H,2,15H2,(H,17,18).
What are the key properties of 4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid?
4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-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 4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 118801555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).