2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid

C9H8BrF2NO3 — CID 118805918

IUPAC2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
SMILESCOc1c(C(F)F)ncc(CC(=O)O)c1Br
InChIInChI=1S/C9H8BrF2NO3/c1-16-8-6(10)4(2-5(14)15)3-13-7(8)9(11)12/h3,9H,2H2,1H3,(H,14,15)
InChIKeyNQYLSXLQTCESCW-UHFFFAOYSA-N
MW296.07 g/mol
LogP2.42
Rot. Bonds4

About 2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid

2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid (PubChem CID 118805918) has the molecular formula C9H8BrF2NO3 and a molecular weight of 296.07 g/mol. Its IUPAC name is 2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
PubChem CID118805918
Molecular FormulaC9H8BrF2NO3
Molecular Weight296.07 g/mol
Exact Mass294.97
IUPAC Name2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
SMILESCOc1c(C(F)F)ncc(CC(=O)O)c1Br
InChIInChI=1S/C9H8BrF2NO3/c1-16-8-6(10)4(2-5(14)15)3-13-7(8)9(11)12/h3,9H,2H2,1H3,(H,14,15)
InChIKeyNQYLSXLQTCESCW-UHFFFAOYSA-N
XLogP2.42
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.07
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(difluoromethyl)-5-methoxy-4-methyl-3-pyridinyl]acetic acid
CID 118837312
ethyl 2-[5-bromo-6-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate
CID 134684413
4-bromo-6-(difluoromethyl)-5-methoxypyridin-3-amine
CID 130101766
methyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134673471
2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid
CID 133105323
2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid
CID 134684702
2-[4,6-dibromo-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 119024098
2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134676275
2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 134663918
methyl 2-[4-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134674686
ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 134683801
2-[4-bromo-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 130068481

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid?
The IUPAC name of 2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid (CID 118805918) is 2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid is COc1c(C(F)F)ncc(CC(=O)O)c1Br.
What is the InChIKey of 2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid?
The InChIKey is NQYLSXLQTCESCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO3/c1-16-8-6(10)4(2-5(14)15)3-13-7(8)9(11)12/h3,9H,2H2,1H3,(H,14,15).
What are the key properties of 2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid?
2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid has a molecular weight of 296.07 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid is sourced from PubChem (CID 118805918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).