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

C9H7F5N2O2 — CID 133084536

IUPAC4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESNCc1c(C(F)F)cnc(C(=O)O)c1C(F)(F)F
InChIInChI=1S/C9H7F5N2O2/c10-7(11)4-2-16-6(8(17)18)5(3(4)1-15)9(12,13)14/h2,7H,1,15H2,(H,17,18)
InChIKeyYPKHSBSQIUMOCD-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.19
Rot. Bonds3

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

4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 133084536) has the molecular formula C9H7F5N2O2 and a molecular weight of 270.16 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID133084536
Molecular FormulaC9H7F5N2O2
Molecular Weight270.16 g/mol
Exact Mass270.04
IUPAC Name4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESNCc1c(C(F)F)cnc(C(=O)O)c1C(F)(F)F
InChIInChI=1S/C9H7F5N2O2/c10-7(11)4-2-16-6(8(17)18)5(3(4)1-15)9(12,13)14/h2,7H,1,15H2,(H,17,18)
InChIKeyYPKHSBSQIUMOCD-UHFFFAOYSA-N
XLogP2.19
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 118823555
4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130087578
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 130098534
2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 119021570
4-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118812999
4-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid
CID 130082328
3-(difluoromethyl)-5-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133102250
2-[5-(difluoromethyl)-4-iodo-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133100098
3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098779
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118835601
3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107332
5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid
CID 130099870

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid (CID 133084536) is 4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid is NCc1c(C(F)F)cnc(C(=O)O)c1C(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is YPKHSBSQIUMOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O2/c10-7(11)4-2-16-6(8(17)18)5(3(4)1-15)9(12,13)14/h2,7H,1,15H2,(H,17,18).
What are the key properties of 4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid?
4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 270.16 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 133084536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).