2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride

C7H4Cl2N2O2 — CID 152602540

IUPAC2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride
SMILESO=C(Cl)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C7H4Cl2N2O2/c8-4-1-2-5(10-3-4)11-7(13)6(9)12/h1-3H,(H,10,11,13)
InChIKeyYXVNKKGMBICXHG-UHFFFAOYSA-N
MW219.03 g/mol
LogP1.44
Rot. Bonds2

About 2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride

2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride (PubChem CID 152602540) has the molecular formula C7H4Cl2N2O2 and a molecular weight of 219.03 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride
PubChem CID152602540
Molecular FormulaC7H4Cl2N2O2
Molecular Weight219.03 g/mol
Exact Mass217.96
IUPAC Name2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride
SMILESO=C(Cl)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C7H4Cl2N2O2/c8-4-1-2-5(10-3-4)11-7(13)6(9)12/h1-3H,(H,10,11,13)
InChIKeyYXVNKKGMBICXHG-UHFFFAOYSA-N
XLogP1.44
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.03
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(5-chloro-2-pyridinyl)oxamide;hydrochloride
CID 22934756
2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide
CID 144725411
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
N-(5-chloro-2-pyridinyl)prop-2-enamide
CID 43616360
N'-(5-chloro-2-pyridinyl)oxamide;2,2,2-trifluoroacetic acid
CID 175200549
(1Z)-2-[(5-chloro-2-pyridinyl)amino]-N-methoxy-2-oxoethanimidoyl cyanide
CID 134122207
2-N,6-N-bis(5-chloro-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 3421113
N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide
CID 2848364
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
1-(5-chloro-2-pyridinyl)-3-ethenylurea
CID 108909366
N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide
CID 6457327
N-(5-chloro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)oxamide
CID 44996125

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride (CID 152602540) is 2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride is O=C(Cl)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride?
The InChIKey is YXVNKKGMBICXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2O2/c8-4-1-2-5(10-3-4)11-7(13)6(9)12/h1-3H,(H,10,11,13).
What are the key properties of 2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride?
2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride has a molecular weight of 219.03 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride is sourced from PubChem (CID 152602540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).