2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid

C9H7F5N2O2 — CID 134671561

IUPAC2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESNc1cc(C(F)(F)F)c(CC(=O)O)c(C(F)F)n1
InChIInChI=1S/C9H7F5N2O2/c10-8(11)7-3(1-6(17)18)4(9(12,13)14)2-5(15)16-7/h2,8H,1H2,(H2,15,16)(H,17,18)
InChIKeyIBZQNRSUPXDCMN-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.25
Rot. Bonds3

About 2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid

2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid (PubChem CID 134671561) has the molecular formula C9H7F5N2O2 and a molecular weight of 270.16 g/mol. Its IUPAC name is 2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
PubChem CID134671561
Molecular FormulaC9H7F5N2O2
Molecular Weight270.16 g/mol
Exact Mass270.04
IUPAC Name2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESNc1cc(C(F)(F)F)c(CC(=O)O)c(C(F)F)n1
InChIInChI=1S/C9H7F5N2O2/c10-8(11)7-3(1-6(17)18)4(9(12,13)14)2-5(15)16-7/h2,8H,1H2,(H2,15,16)(H,17,18)
InChIKeyIBZQNRSUPXDCMN-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 130107066
6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2,5-diamine
CID 134672254
2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 134661764
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 133084782
2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118809162
2-[6-amino-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid
CID 134664300
2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118854183
2-[6-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118848517
3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134658740
2-[6-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]acetic acid
CID 134663970
2-[6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118837450
2-[5-amino-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671566

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid (CID 134671561) is 2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid is Nc1cc(C(F)(F)F)c(CC(=O)O)c(C(F)F)n1.
What is the InChIKey of 2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid?
The InChIKey is IBZQNRSUPXDCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O2/c10-8(11)7-3(1-6(17)18)4(9(12,13)14)2-5(15)16-7/h2,8H,1H2,(H2,15,16)(H,17,18).
What are the key properties of 2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid?
2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid has a molecular weight of 270.16 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 134671561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).