2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid

C8H7F2NO3 — CID 118806262

IUPAC2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)cc(=O)[nH]1
InChIInChI=1S/C8H7F2NO3/c9-8(10)4-1-5(3-7(13)14)11-6(12)2-4/h1-2,8H,3H2,(H,11,12)(H,13,14)
InChIKeyHUKBKQJUHLUTQP-UHFFFAOYSA-N
MW203.14 g/mol
LogP0.94
Rot. Bonds3

About 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid

2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid (PubChem CID 118806262) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
PubChem CID118806262
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)cc(=O)[nH]1
InChIInChI=1S/C8H7F2NO3/c9-8(10)4-1-5(3-7(13)14)11-6(12)2-4/h1-2,8H,3H2,(H,11,12)(H,13,14)
InChIKeyHUKBKQJUHLUTQP-UHFFFAOYSA-N
XLogP0.94
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid (CID 118806262) is 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid is O=C(O)Cc1cc(C(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid?
The InChIKey is HUKBKQJUHLUTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c9-8(10)4-1-5(3-7(13)14)11-6(12)2-4/h1-2,8H,3H2,(H,11,12)(H,13,14).
What are the key properties of 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid?
2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid has a molecular weight of 203.14 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid is sourced from PubChem (CID 118806262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).