1-phenyl-2-pyridin-2-ylethanone;hydrochloride

C13H12ClNO — CID 22758250

IUPAC1-phenyl-2-pyridin-2-ylethanone;hydrochloride
SMILESCl.O=C(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C13H11NO.ClH/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12;/h1-9H,10H2;1H
InChIKeyFJPQKPBQCTYESZ-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.93
Rot. Bonds3

About 1-phenyl-2-pyridin-2-ylethanone;hydrochloride

1-phenyl-2-pyridin-2-ylethanone;hydrochloride (PubChem CID 22758250) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 1-phenyl-2-pyridin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-pyridin-2-ylethanone;hydrochloride
PubChem CID22758250
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name1-phenyl-2-pyridin-2-ylethanone;hydrochloride
SMILESCl.O=C(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C13H11NO.ClH/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12;/h1-9H,10H2;1H
InChIKeyFJPQKPBQCTYESZ-UHFFFAOYSA-N
XLogP2.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 131857449
CID 131857449
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CID 174853038
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1-phenyl-2-(2-pyridin-2-ylphenyl)ethanone
CID 138970108
1-(2-iodophenyl)-2-pyridin-2-ylethanone
CID 43118474
1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone
CID 116613912
1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone
CID 116597491
1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone
CID 63743858
molecular hydrogen;2-pyridin-2-ylacetamide
CID 145224814

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-pyridin-2-ylethanone;hydrochloride?
The IUPAC name of 1-phenyl-2-pyridin-2-ylethanone;hydrochloride (CID 22758250) is 1-phenyl-2-pyridin-2-ylethanone;hydrochloride.
What is the SMILES notation for 1-phenyl-2-pyridin-2-ylethanone;hydrochloride?
The canonical SMILES for 1-phenyl-2-pyridin-2-ylethanone;hydrochloride is Cl.O=C(Cc1ccccn1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-pyridin-2-ylethanone;hydrochloride?
The InChIKey is FJPQKPBQCTYESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO.ClH/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12;/h1-9H,10H2;1H.
What are the key properties of 1-phenyl-2-pyridin-2-ylethanone;hydrochloride?
1-phenyl-2-pyridin-2-ylethanone;hydrochloride has a molecular weight of 233.70 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-pyridin-2-ylethanone;hydrochloride is sourced from PubChem (CID 22758250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).