ethane;pyridine-2-carbonyl chloride

C10H16ClNO — CID 158598971

IUPACethane;pyridine-2-carbonyl chloride
SMILESCC.CC.O=C(Cl)c1ccccn1
InChIInChI=1S/C6H4ClNO.2C2H6/c7-6(9)5-3-1-2-4-8-5;2*1-2/h1-4H;2*1-2H3
InChIKeyHVJSLIXLQIQEBM-UHFFFAOYSA-N
MW201.70 g/mol
LogP3.51
Rot. Bonds1

About ethane;pyridine-2-carbonyl chloride

ethane;pyridine-2-carbonyl chloride (PubChem CID 158598971) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is ethane;pyridine-2-carbonyl chloride.

Molecular Properties

Compound Nameethane;pyridine-2-carbonyl chloride
PubChem CID158598971
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Nameethane;pyridine-2-carbonyl chloride
SMILESCC.CC.O=C(Cl)c1ccccn1
InChIInChI=1S/C6H4ClNO.2C2H6/c7-6(9)5-3-1-2-4-8-5;2*1-2/h1-4H;2*1-2H3
InChIKeyHVJSLIXLQIQEBM-UHFFFAOYSA-N
XLogP3.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;pyridine-2-carbonyl 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

ethane;pyridine-2-carbonyl fluoride
CID 161184414
propan-2-one;1-pyridin-2-ylethanone
CID 158043833
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
ethane;molecular hydrogen;pyridine-2-carboxamide
CID 145071770
2-chloro-1-pyridin-2-ylprop-2-en-1-one
CID 102256379
gadolinium;pyridine-2-carboxylic acid
CID 175231422
molecular iodine;1-pyridin-2-ylethanone
CID 169427217
CID 175246691
CID 175246691
hafnium;pyridine-2-carboxylic acid
CID 175130925
phosphanyl(pyridin-2-yl)methanone
CID 89397457
CID 173156131
CID 173156131
pyridine-2-carboxylic acid;tungsten
CID 88770661

Frequently Asked Questions

What is the IUPAC name of ethane;pyridine-2-carbonyl chloride?
The IUPAC name of ethane;pyridine-2-carbonyl chloride (CID 158598971) is ethane;pyridine-2-carbonyl chloride.
What is the SMILES notation for ethane;pyridine-2-carbonyl chloride?
The canonical SMILES for ethane;pyridine-2-carbonyl chloride is CC.CC.O=C(Cl)c1ccccn1.
What is the InChIKey of ethane;pyridine-2-carbonyl chloride?
The InChIKey is HVJSLIXLQIQEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO.2C2H6/c7-6(9)5-3-1-2-4-8-5;2*1-2/h1-4H;2*1-2H3.
What are the key properties of ethane;pyridine-2-carbonyl chloride?
ethane;pyridine-2-carbonyl chloride has a molecular weight of 201.70 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyridine-2-carbonyl chloride is sourced from PubChem (CID 158598971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).