2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid

C10H11F2NO4 — CID 134684702

IUPAC2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid
SMILESCOc1ncc(CC(=O)O)c(C(F)F)c1OC
InChIInChI=1S/C10H11F2NO4/c1-16-8-7(9(11)12)5(3-6(14)15)4-13-10(8)17-2/h4,9H,3H2,1-2H3,(H,14,15)
InChIKeyDHFARRJHAGSABF-UHFFFAOYSA-N
MW247.20 g/mol
LogP1.66
Rot. Bonds5

About 2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid

2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid (PubChem CID 134684702) has the molecular formula C10H11F2NO4 and a molecular weight of 247.20 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid
PubChem CID134684702
Molecular FormulaC10H11F2NO4
Molecular Weight247.20 g/mol
Exact Mass247.07
IUPAC Name2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid
SMILESCOc1ncc(CC(=O)O)c(C(F)F)c1OC
InChIInChI=1S/C10H11F2NO4/c1-16-8-7(9(11)12)5(3-6(14)15)4-13-10(8)17-2/h4,9H,3H2,1-2H3,(H,14,15)
InChIKeyDHFARRJHAGSABF-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-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid
CID 118839763
2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid
CID 133105323
2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid
CID 134664652
2-[6-(difluoromethyl)-5-methoxy-4-methyl-3-pyridinyl]acetic acid
CID 118837312
2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 118805918
methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134663537
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683805
2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid
CID 130074453
ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate
CID 133103446
2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid
CID 133085256
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118800590
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 133085269

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid (CID 134684702) is 2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid is COc1ncc(CC(=O)O)c(C(F)F)c1OC.
What is the InChIKey of 2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid?
The InChIKey is DHFARRJHAGSABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO4/c1-16-8-7(9(11)12)5(3-6(14)15)4-13-10(8)17-2/h4,9H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid?
2-[4-(difluoromethyl)-5,6-dimethoxy-3-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-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid is sourced from PubChem (CID 134684702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).