2-methyl-2-naphthalen-2-yl-3-pyridin-4-ylpropanoyl chloride

C19H16ClNO — CID 117049133

IUPAC2-methyl-2-naphthalen-2-yl-3-pyridin-4-ylpropanoyl chloride
SMILESCC(Cc1ccncc1)(C(=O)Cl)c1ccc2ccccc2c1
InChIInChI=1S/C19H16ClNO/c1-19(18(20)22,13-14-8-10-21-11-9-14)17-7-6-15-4-2-3-5-16(15)12-17/h2-12H,13H2,1H3
InChIKeyKAGVFLHZLOGYGD-UHFFFAOYSA-N
MW309.80 g/mol
LogP4.50
Rot. Bonds4

About 2-methyl-2-naphthalen-2-yl-3-pyridin-4-ylpropanoyl chloride

2-methyl-2-naphthalen-2-yl-3-pyridin-4-ylpropanoyl chloride (PubChem CID 117049133) has the molecular formula C19H16ClNO and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-methyl-2-naphthalen-2-yl-3-pyridin-4-ylpropanoyl chloride.

Molecular Properties

Compound Name2-methyl-2-naphthalen-2-yl-3-pyridin-4-ylpropanoyl chloride
PubChem CID117049133
Molecular FormulaC19H16ClNO
Molecular Weight309.80 g/mol
Exact Mass309.09
IUPAC Name2-methyl-2-naphthalen-2-yl-3-pyridin-4-ylpropanoyl chloride
SMILESCC(Cc1ccncc1)(C(=O)Cl)c1ccc2ccccc2c1
InChIInChI=1S/C19H16ClNO/c1-19(18(20)22,13-14-8-10-21-11-9-14)17-7-6-15-4-2-3-5-16(15)12-17/h2-12H,13H2,1H3
InChIKeyKAGVFLHZLOGYGD-UHFFFAOYSA-N
XLogP4.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.50
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

2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride
CID 117048269
2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid
CID 117048944
2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride
CID 117049122
2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride
CID 117049145
2-naphthalen-2-yl-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792470
4-(2,2-dimethylpropyl)pyridine
CID 22960904
ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate
CID 117049792
ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate
CID 155818749
ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate
CID 117048785
(2R)-2-hydroxy-2-naphthalen-2-ylpropanal
CID 122375981
ethyl 2-methyl-2-(2-methylphenyl)-3-pyridin-4-ylpropanoate
CID 117048998
2-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 117048230

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-naphthalen-2-yl-3-pyridin-4-ylpropanoyl chloride?
The IUPAC name of 2-methyl-2-naphthalen-2-yl-3-pyridin-4-ylpropanoyl chloride (CID 117049133) is 2-methyl-2-naphthalen-2-yl-3-pyridin-4-ylpropanoyl chloride.
What is the SMILES notation for 2-methyl-2-naphthalen-2-yl-3-pyridin-4-ylpropanoyl chloride?
The canonical SMILES for 2-methyl-2-naphthalen-2-yl-3-pyridin-4-ylpropanoyl chloride is CC(Cc1ccncc1)(C(=O)Cl)c1ccc2ccccc2c1.
What is the InChIKey of 2-methyl-2-naphthalen-2-yl-3-pyridin-4-ylpropanoyl chloride?
The InChIKey is KAGVFLHZLOGYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO/c1-19(18(20)22,13-14-8-10-21-11-9-14)17-7-6-15-4-2-3-5-16(15)12-17/h2-12H,13H2,1H3.
What are the key properties of 2-methyl-2-naphthalen-2-yl-3-pyridin-4-ylpropanoyl chloride?
2-methyl-2-naphthalen-2-yl-3-pyridin-4-ylpropanoyl chloride has a molecular weight of 309.80 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-naphthalen-2-yl-3-pyridin-4-ylpropanoyl chloride is sourced from PubChem (CID 117049133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).