2-[6-amino-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetic acid

C8H7ClF2N2O2 — CID 119006462

IUPAC2-[6-amino-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESNc1nc(CC(=O)O)c(C(F)F)cc1Cl
InChIInChI=1S/C8H7ClF2N2O2/c9-4-1-3(7(10)11)5(2-6(14)15)13-8(4)12/h1,7H,2H2,(H2,12,13)(H,14,15)
InChIKeyFESKBEIHQJMOQG-UHFFFAOYSA-N
MW236.60 g/mol
LogP1.88
Rot. Bonds3

About 2-[6-amino-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetic acid

2-[6-amino-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 119006462) has the molecular formula C8H7ClF2N2O2 and a molecular weight of 236.60 g/mol. Its IUPAC name is 2-[6-amino-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-amino-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetic acid
PubChem CID119006462
Molecular FormulaC8H7ClF2N2O2
Molecular Weight236.60 g/mol
Exact Mass236.02
IUPAC Name2-[6-amino-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESNc1nc(CC(=O)O)c(C(F)F)cc1Cl
InChIInChI=1S/C8H7ClF2N2O2/c9-4-1-3(7(10)11)5(2-6(14)15)13-8(4)12/h1,7H,2H2,(H2,12,13)(H,14,15)
InChIKeyFESKBEIHQJMOQG-UHFFFAOYSA-N
XLogP1.88
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.60
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-amino-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetic acid (CID 119006462) is 2-[6-amino-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-amino-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-amino-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetic acid is Nc1nc(CC(=O)O)c(C(F)F)cc1Cl.
What is the InChIKey of 2-[6-amino-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is FESKBEIHQJMOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O2/c9-4-1-3(7(10)11)5(2-6(14)15)13-8(4)12/h1,7H,2H2,(H2,12,13)(H,14,15).
What are the key properties of 2-[6-amino-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetic acid?
2-[6-amino-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 236.60 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 119006462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).