[2-amino-6-(4-chlorophenyl)-3-pyridinyl]-phenylmethanone

C18H13ClN2O — CID 12782045

IUPAC[2-amino-6-(4-chlorophenyl)-3-pyridinyl]-phenylmethanone
SMILESNc1nc(-c2ccc(Cl)cc2)ccc1C(=O)c1ccccc1
InChIInChI=1S/C18H13ClN2O/c19-14-8-6-12(7-9-14)16-11-10-15(18(20)21-16)17(22)13-4-2-1-3-5-13/h1-11H,(H2,20,21)
InChIKeyPKXNQXOAEIPWNN-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.22
Rot. Bonds3

About [2-amino-6-(4-chlorophenyl)-3-pyridinyl]-phenylmethanone

[2-amino-6-(4-chlorophenyl)-3-pyridinyl]-phenylmethanone (PubChem CID 12782045) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is [2-amino-6-(4-chlorophenyl)-3-pyridinyl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-6-(4-chlorophenyl)-3-pyridinyl]-phenylmethanone
PubChem CID12782045
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name[2-amino-6-(4-chlorophenyl)-3-pyridinyl]-phenylmethanone
SMILESNc1nc(-c2ccc(Cl)cc2)ccc1C(=O)c1ccccc1
InChIInChI=1S/C18H13ClN2O/c19-14-8-6-12(7-9-14)16-11-10-15(18(20)21-16)17(22)13-4-2-1-3-5-13/h1-11H,(H2,20,21)
InChIKeyPKXNQXOAEIPWNN-UHFFFAOYSA-N
XLogP4.22
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone
CID 11043024
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
6-(4-chlorophenyl)-2-methylpyridine-3-carbohydrazide
CID 53433276
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
(2,4-diamino-3-benzoylphenyl)-phenylmethanone
CID 70481575
phenacyl 2-(4-chlorobenzoyl)benzoate
CID 2586328
[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-phenylmethanone
CID 50751012
[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 1484799
N-(2-benzoylphenyl)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 4256954
ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate
CID 116532919
[1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone
CID 12737865

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(4-chlorophenyl)-3-pyridinyl]-phenylmethanone?
The IUPAC name of [2-amino-6-(4-chlorophenyl)-3-pyridinyl]-phenylmethanone (CID 12782045) is [2-amino-6-(4-chlorophenyl)-3-pyridinyl]-phenylmethanone.
What is the SMILES notation for [2-amino-6-(4-chlorophenyl)-3-pyridinyl]-phenylmethanone?
The canonical SMILES for [2-amino-6-(4-chlorophenyl)-3-pyridinyl]-phenylmethanone is Nc1nc(-c2ccc(Cl)cc2)ccc1C(=O)c1ccccc1.
What is the InChIKey of [2-amino-6-(4-chlorophenyl)-3-pyridinyl]-phenylmethanone?
The InChIKey is PKXNQXOAEIPWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-14-8-6-12(7-9-14)16-11-10-15(18(20)21-16)17(22)13-4-2-1-3-5-13/h1-11H,(H2,20,21).
What are the key properties of [2-amino-6-(4-chlorophenyl)-3-pyridinyl]-phenylmethanone?
[2-amino-6-(4-chlorophenyl)-3-pyridinyl]-phenylmethanone has a molecular weight of 308.77 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(4-chlorophenyl)-3-pyridinyl]-phenylmethanone is sourced from PubChem (CID 12782045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).