1-(3-chloro-4-pyridinyl)-3-naphthalen-2-ylpropan-2-one

C18H14ClNO — CID 105107606

IUPAC1-(3-chloro-4-pyridinyl)-3-naphthalen-2-ylpropan-2-one
SMILESO=C(Cc1ccc2ccccc2c1)Cc1ccncc1Cl
InChIInChI=1S/C18H14ClNO/c19-18-12-20-8-7-16(18)11-17(21)10-13-5-6-14-3-1-2-4-15(14)9-13/h1-9,12H,10-11H2
InChIKeyXMWMMXCGYZVLQP-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.24
Rot. Bonds4

About 1-(3-chloro-4-pyridinyl)-3-naphthalen-2-ylpropan-2-one

1-(3-chloro-4-pyridinyl)-3-naphthalen-2-ylpropan-2-one (PubChem CID 105107606) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-3-naphthalen-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-3-naphthalen-2-ylpropan-2-one
PubChem CID105107606
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name1-(3-chloro-4-pyridinyl)-3-naphthalen-2-ylpropan-2-one
SMILESO=C(Cc1ccc2ccccc2c1)Cc1ccncc1Cl
InChIInChI=1S/C18H14ClNO/c19-18-12-20-8-7-16(18)11-17(21)10-13-5-6-14-3-1-2-4-15(14)9-13/h1-9,12H,10-11H2
InChIKeyXMWMMXCGYZVLQP-UHFFFAOYSA-N
XLogP4.24
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one
CID 90865264
1-isoquinolin-6-yl-4-phenylbutan-2-one
CID 58367623
1-naphthalen-2-yl-3-(pyridin-3-ylmethylamino)propan-2-one
CID 158615448
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
CID 55096177
2-naphthalen-2-yl-N-pyridin-4-ylacetamide
CID 25336159
3-[(2-naphthalen-2-ylacetyl)amino]pyridine-4-carboxylic acid
CID 71767584
1-(3-chloro-4-pyridinyl)-3-methylbutan-2-one
CID 64989470
1-(3-chloro-4-pyridinyl)-5-hydroxypentan-2-one
CID 106677511
1-isoquinolin-6-ylpentane-2,4-dione
CID 159448998
1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone
CID 63528200
2-isoquinolin-6-ylacetic acid
CID 19098542
2-(3,4-dichlorophenyl)-N-naphthalen-2-ylacetamide
CID 7900527

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-3-naphthalen-2-ylpropan-2-one?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-3-naphthalen-2-ylpropan-2-one (CID 105107606) is 1-(3-chloro-4-pyridinyl)-3-naphthalen-2-ylpropan-2-one.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-3-naphthalen-2-ylpropan-2-one?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-3-naphthalen-2-ylpropan-2-one is O=C(Cc1ccc2ccccc2c1)Cc1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-3-naphthalen-2-ylpropan-2-one?
The InChIKey is XMWMMXCGYZVLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO/c19-18-12-20-8-7-16(18)11-17(21)10-13-5-6-14-3-1-2-4-15(14)9-13/h1-9,12H,10-11H2.
What are the key properties of 1-(3-chloro-4-pyridinyl)-3-naphthalen-2-ylpropan-2-one?
1-(3-chloro-4-pyridinyl)-3-naphthalen-2-ylpropan-2-one has a molecular weight of 295.77 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-3-naphthalen-2-ylpropan-2-one is sourced from PubChem (CID 105107606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).