7-chloro-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one

C15H12ClNO — CID 13083

IUPAC7-chloro-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2cc(Cl)ccc2CCC1c1cccnc1
InChIInChI=1S/C15H12ClNO/c16-12-5-3-10-4-6-13(15(18)14(10)8-12)11-2-1-7-17-9-11/h1-3,5,7-9,13H,4,6H2
InChIKeyRCBZARSYIFQZOX-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.65
Rot. Bonds1

About 7-chloro-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one

7-chloro-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 13083) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 7-chloro-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-chloro-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID13083
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name7-chloro-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2cc(Cl)ccc2CCC1c1cccnc1
InChIInChI=1S/C15H12ClNO/c16-12-5-3-10-4-6-13(15(18)14(10)8-12)11-2-1-7-17-9-11/h1-3,5,7-9,13H,4,6H2
InChIKeyRCBZARSYIFQZOX-UHFFFAOYSA-N
XLogP3.65
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-chloro-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one (CID 13083) is 7-chloro-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-chloro-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-chloro-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one is O=C1c2cc(Cl)ccc2CCC1c1cccnc1.
What is the InChIKey of 7-chloro-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is RCBZARSYIFQZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-12-5-3-10-4-6-13(15(18)14(10)8-12)11-2-1-7-17-9-11/h1-3,5,7-9,13H,4,6H2.
What are the key properties of 7-chloro-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one?
7-chloro-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 257.72 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 13083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).