2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-2H-pyridin-1-yl]acetic acid

C15H14ClF2NO3 — CID 150323328

IUPAC2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-2H-pyridin-1-yl]acetic acid
SMILESCC1=CC=C(c2ccc(Cl)c(OC(F)F)c2)N(CC(=O)O)C1
InChIInChI=1S/C15H14ClF2NO3/c1-9-2-5-12(19(7-9)8-14(20)21)10-3-4-11(16)13(6-10)22-15(17)18/h2-6,15H,7-8H2,1H3,(H,20,21)
InChIKeyGOCGQMXOKNFDJT-UHFFFAOYSA-N
MW329.73 g/mol
LogP3.63
Rot. Bonds5

About 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-2H-pyridin-1-yl]acetic acid

2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-2H-pyridin-1-yl]acetic acid (PubChem CID 150323328) has the molecular formula C15H14ClF2NO3 and a molecular weight of 329.73 g/mol. Its IUPAC name is 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-2H-pyridin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-2H-pyridin-1-yl]acetic acid
PubChem CID150323328
Molecular FormulaC15H14ClF2NO3
Molecular Weight329.73 g/mol
Exact Mass329.06
IUPAC Name2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-2H-pyridin-1-yl]acetic acid
SMILESCC1=CC=C(c2ccc(Cl)c(OC(F)F)c2)N(CC(=O)O)C1
InChIInChI=1S/C15H14ClF2NO3/c1-9-2-5-12(19(7-9)8-14(20)21)10-3-4-11(16)13(6-10)22-15(17)18/h2-6,15H,7-8H2,1H3,(H,20,21)
InChIKeyGOCGQMXOKNFDJT-UHFFFAOYSA-N
XLogP3.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.73
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-2H-pyridin-1-yl]acetic acid?
The IUPAC name of 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-2H-pyridin-1-yl]acetic acid (CID 150323328) is 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-2H-pyridin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-2H-pyridin-1-yl]acetic acid?
The canonical SMILES for 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-2H-pyridin-1-yl]acetic acid is CC1=CC=C(c2ccc(Cl)c(OC(F)F)c2)N(CC(=O)O)C1.
What is the InChIKey of 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-2H-pyridin-1-yl]acetic acid?
The InChIKey is GOCGQMXOKNFDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO3/c1-9-2-5-12(19(7-9)8-14(20)21)10-3-4-11(16)13(6-10)22-15(17)18/h2-6,15H,7-8H2,1H3,(H,20,21).
What are the key properties of 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-2H-pyridin-1-yl]acetic acid?
2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-2H-pyridin-1-yl]acetic acid has a molecular weight of 329.73 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-2H-pyridin-1-yl]acetic acid is sourced from PubChem (CID 150323328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).