2-[[6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid

C9H7ClF2N2O4 — CID 141218762

IUPAC2-[[6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(C(F)(F)Cl)[nH]c1=O
InChIInChI=1S/C9H7ClF2N2O4/c10-9(11,12)5-2-1-4(8(18)14-5)7(17)13-3-6(15)16/h1-2H,3H2,(H,13,17)(H,14,18)(H,15,16)
InChIKeyVAGXXAHYEPNSBB-UHFFFAOYSA-N
MW280.61 g/mol
LogP0.48
Rot. Bonds4

About 2-[[6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid

2-[[6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid (PubChem CID 141218762) has the molecular formula C9H7ClF2N2O4 and a molecular weight of 280.61 g/mol. Its IUPAC name is 2-[[6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid
PubChem CID141218762
Molecular FormulaC9H7ClF2N2O4
Molecular Weight280.61 g/mol
Exact Mass280.01
IUPAC Name2-[[6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(C(F)(F)Cl)[nH]c1=O
InChIInChI=1S/C9H7ClF2N2O4/c10-9(11,12)5-2-1-4(8(18)14-5)7(17)13-3-6(15)16/h1-2H,3H2,(H,13,17)(H,14,18)(H,15,16)
InChIKeyVAGXXAHYEPNSBB-UHFFFAOYSA-N
XLogP0.48
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.61
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 43356215
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CID 43409577
CID 43409577
CID 43469291
CID 43469291
CID 54990762
CID 54990762
CID 60827036
CID 60827036
CID 60830357
CID 60830357
CID 61012881
CID 61012881
CID 61022501
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CID 62627994
CID 62627994

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid (CID 141218762) is 2-[[6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(C(F)(F)Cl)[nH]c1=O.
What is the InChIKey of 2-[[6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is VAGXXAHYEPNSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N2O4/c10-9(11,12)5-2-1-4(8(18)14-5)7(17)13-3-6(15)16/h1-2H,3H2,(H,13,17)(H,14,18)(H,15,16).
What are the key properties of 2-[[6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid?
2-[[6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 280.61 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 141218762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).