2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid

C10H11F2NO4 — CID 134664061

IUPAC2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid
SMILESCOc1cc(C(F)F)c(CC(=O)O)nc1OC
InChIInChI=1S/C10H11F2NO4/c1-16-7-3-5(9(11)12)6(4-8(14)15)13-10(7)17-2/h3,9H,4H2,1-2H3,(H,14,15)
InChIKeyLKYYKMDPVPRBQV-UHFFFAOYSA-N
MW247.20 g/mol
LogP1.66
Rot. Bonds5

About 2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid

2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid (PubChem CID 134664061) has the molecular formula C10H11F2NO4 and a molecular weight of 247.20 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid
PubChem CID134664061
Molecular FormulaC10H11F2NO4
Molecular Weight247.20 g/mol
Exact Mass247.07
IUPAC Name2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid
SMILESCOc1cc(C(F)F)c(CC(=O)O)nc1OC
InChIInChI=1S/C10H11F2NO4/c1-16-7-3-5(9(11)12)6(4-8(14)15)13-10(7)17-2/h3,9H,4H2,1-2H3,(H,14,15)
InChIKeyLKYYKMDPVPRBQV-UHFFFAOYSA-N
XLogP1.66
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid
CID 133085224
2-[3-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetic acid
CID 133085247
2-[6-amino-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 119006598
2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid
CID 130074460
2-[6-bromo-3-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid
CID 134671684
2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118826511
2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118826893
2-[6-methoxy-3-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134667952
2-[5-methoxy-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134679126
2-[6-(chloromethyl)-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
CID 118821411
2-[2-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 119021742
2-[6-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 119012480

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid (CID 134664061) is 2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid is COc1cc(C(F)F)c(CC(=O)O)nc1OC.
What is the InChIKey of 2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid?
The InChIKey is LKYYKMDPVPRBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO4/c1-16-7-3-5(9(11)12)6(4-8(14)15)13-10(7)17-2/h3,9H,4H2,1-2H3,(H,14,15).
What are the key properties of 2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid?
2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid has a molecular weight of 247.20 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid is sourced from PubChem (CID 134664061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).