2-[(4-chloropyridine-2-carbonyl)amino]acetic acid

C8H7ClN2O3 — CID 4962393

IUPAC2-[(4-chloropyridine-2-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C8H7ClN2O3/c9-5-1-2-10-6(3-5)8(14)11-4-7(12)13/h1-3H,4H2,(H,11,14)(H,12,13)
InChIKeyBERLGDFOMLYTFN-UHFFFAOYSA-N
MW214.61 g/mol
LogP0.55
Rot. Bonds3

About 2-[(4-chloropyridine-2-carbonyl)amino]acetic acid

2-[(4-chloropyridine-2-carbonyl)amino]acetic acid (PubChem CID 4962393) has the molecular formula C8H7ClN2O3 and a molecular weight of 214.61 g/mol. Its IUPAC name is 2-[(4-chloropyridine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-chloropyridine-2-carbonyl)amino]acetic acid
PubChem CID4962393
Molecular FormulaC8H7ClN2O3
Molecular Weight214.61 g/mol
Exact Mass214.01
IUPAC Name2-[(4-chloropyridine-2-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C8H7ClN2O3/c9-5-1-2-10-6(3-5)8(14)11-4-7(12)13/h1-3H,4H2,(H,11,14)(H,12,13)
InChIKeyBERLGDFOMLYTFN-UHFFFAOYSA-N
XLogP0.55
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.61
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloropyridine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-chloropyridine-2-carbonyl)amino]acetic acid (CID 4962393) is 2-[(4-chloropyridine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-chloropyridine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-chloropyridine-2-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 2-[(4-chloropyridine-2-carbonyl)amino]acetic acid?
The InChIKey is BERLGDFOMLYTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O3/c9-5-1-2-10-6(3-5)8(14)11-4-7(12)13/h1-3H,4H2,(H,11,14)(H,12,13).
What are the key properties of 2-[(4-chloropyridine-2-carbonyl)amino]acetic acid?
2-[(4-chloropyridine-2-carbonyl)amino]acetic acid has a molecular weight of 214.61 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloropyridine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 4962393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).