3-pyridin-2-ylpropanoyl chloride;hydrochloride

C8H9Cl2NO — CID 87464337

IUPAC3-pyridin-2-ylpropanoyl chloride;hydrochloride
SMILESCl.O=C(Cl)CCc1ccccn1
InChIInChI=1S/C8H8ClNO.ClH/c9-8(11)5-4-7-3-1-2-6-10-7;/h1-3,6H,4-5H2;1H
InChIKeyOXUKIOVDJVFZRQ-UHFFFAOYSA-N
MW206.07 g/mol
LogP2.20
Rot. Bonds3

About 3-pyridin-2-ylpropanoyl chloride;hydrochloride

3-pyridin-2-ylpropanoyl chloride;hydrochloride (PubChem CID 87464337) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 3-pyridin-2-ylpropanoyl chloride;hydrochloride.

Molecular Properties

Compound Name3-pyridin-2-ylpropanoyl chloride;hydrochloride
PubChem CID87464337
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name3-pyridin-2-ylpropanoyl chloride;hydrochloride
SMILESCl.O=C(Cl)CCc1ccccn1
InChIInChI=1S/C8H8ClNO.ClH/c9-8(11)5-4-7-3-1-2-6-10-7;/h1-3,6H,4-5H2;1H
InChIKeyOXUKIOVDJVFZRQ-UHFFFAOYSA-N
XLogP2.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-dipyridin-2-ylbutan-2-one
CID 105108067
6-(2-pyridin-2-ylethoxy)hexanoyl chloride
CID 15166942
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
4-ethyl-1-pyridin-2-ylhexan-3-one
CID 105117455
1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridin-2-ylpropan-1-one
CID 112534839
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
CID 131857449
CID 131857449
1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
2-benzylidene-4-pyridin-2-ylbutanal
CID 54298118
6-pyridin-2-ylhexanoate
CID 7109691
N-(4-hydroxyphenyl)-3-pyridin-2-ylpropanamide
CID 80743821
N-cyclopentyl-3-pyridin-2-ylpropanamide
CID 78980134

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-ylpropanoyl chloride;hydrochloride?
The IUPAC name of 3-pyridin-2-ylpropanoyl chloride;hydrochloride (CID 87464337) is 3-pyridin-2-ylpropanoyl chloride;hydrochloride.
What is the SMILES notation for 3-pyridin-2-ylpropanoyl chloride;hydrochloride?
The canonical SMILES for 3-pyridin-2-ylpropanoyl chloride;hydrochloride is Cl.O=C(Cl)CCc1ccccn1.
What is the InChIKey of 3-pyridin-2-ylpropanoyl chloride;hydrochloride?
The InChIKey is OXUKIOVDJVFZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO.ClH/c9-8(11)5-4-7-3-1-2-6-10-7;/h1-3,6H,4-5H2;1H.
What are the key properties of 3-pyridin-2-ylpropanoyl chloride;hydrochloride?
3-pyridin-2-ylpropanoyl chloride;hydrochloride has a molecular weight of 206.07 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-ylpropanoyl chloride;hydrochloride is sourced from PubChem (CID 87464337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).