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

C9H8BrF2NO3 — CID 134671684

IUPAC2-[6-bromo-3-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid
SMILESCOc1cc(Br)nc(CC(=O)O)c1C(F)F
InChIInChI=1S/C9H8BrF2NO3/c1-16-5-3-6(10)13-4(2-7(14)15)8(5)9(11)12/h3,9H,2H2,1H3,(H,14,15)
InChIKeyQKYMHGFEEXWOAV-UHFFFAOYSA-N
MW296.07 g/mol
LogP2.42
Rot. Bonds4

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

2-[6-bromo-3-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid (PubChem CID 134671684) has the molecular formula C9H8BrF2NO3 and a molecular weight of 296.07 g/mol. Its IUPAC name is 2-[6-bromo-3-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-bromo-3-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid
PubChem CID134671684
Molecular FormulaC9H8BrF2NO3
Molecular Weight296.07 g/mol
Exact Mass294.97
IUPAC Name2-[6-bromo-3-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid
SMILESCOc1cc(Br)nc(CC(=O)O)c1C(F)F
InChIInChI=1S/C9H8BrF2NO3/c1-16-5-3-6(10)13-4(2-7(14)15)8(5)9(11)12/h3,9H,2H2,1H3,(H,14,15)
InChIKeyQKYMHGFEEXWOAV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118818465
2-[6-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134685323
2-[6-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]acetic acid
CID 134674036
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
2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid
CID 133085224
6-bromo-3-(difluoromethyl)-4-methoxypyridin-2-amine
CID 118998784
2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid
CID 134664061
2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118826511
2-[6-amino-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 119006598
methyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134685224
2-[6-(difluoromethyl)-4-methoxy-2-methyl-3-pyridinyl]acetic acid
CID 133099700

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-3-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-bromo-3-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid (CID 134671684) is 2-[6-bromo-3-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-bromo-3-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-bromo-3-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid is COc1cc(Br)nc(CC(=O)O)c1C(F)F.
What is the InChIKey of 2-[6-bromo-3-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid?
The InChIKey is QKYMHGFEEXWOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO3/c1-16-5-3-6(10)13-4(2-7(14)15)8(5)9(11)12/h3,9H,2H2,1H3,(H,14,15).
What are the key properties of 2-[6-bromo-3-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid?
2-[6-bromo-3-(difluoromethyl)-4-methoxy-2-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-[6-bromo-3-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid is sourced from PubChem (CID 134671684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).