[5-chloro-2-(methylamino)phenyl]-(2-chloro-4-pyridinyl)methanone

C13H10Cl2N2O — CID 90305435

IUPAC[5-chloro-2-(methylamino)phenyl]-(2-chloro-4-pyridinyl)methanone
SMILESCNc1ccc(Cl)cc1C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H10Cl2N2O/c1-16-11-3-2-9(14)7-10(11)13(18)8-4-5-17-12(15)6-8/h2-7,16H,1H3
InChIKeyJBNWXEHZGDUHMH-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.66
Rot. Bonds3

About [5-chloro-2-(methylamino)phenyl]-(2-chloro-4-pyridinyl)methanone

[5-chloro-2-(methylamino)phenyl]-(2-chloro-4-pyridinyl)methanone (PubChem CID 90305435) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is [5-chloro-2-(methylamino)phenyl]-(2-chloro-4-pyridinyl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(methylamino)phenyl]-(2-chloro-4-pyridinyl)methanone
PubChem CID90305435
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name[5-chloro-2-(methylamino)phenyl]-(2-chloro-4-pyridinyl)methanone
SMILESCNc1ccc(Cl)cc1C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H10Cl2N2O/c1-16-11-3-2-9(14)7-10(11)13(18)8-4-5-17-12(15)6-8/h2-7,16H,1H3
InChIKeyJBNWXEHZGDUHMH-UHFFFAOYSA-N
XLogP3.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-[(4-tert-butylphenyl)sulfanylamino]-5-chlorophenyl]-(2-methyl-4-pyridinyl)methanone
CID 88856971
1-(2-chloro-4-pyridinyl)-2-(methylamino)prop-2-en-1-one
CID 140967080
1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone
CID 82655374
5-chloro-N-cyclopropyl-2-(methylamino)benzamide
CID 62171127
(2-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752678
[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone
CID 145356956
5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide
CID 62173538
(2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288234
5-chloro-N-(2,5-difluorophenyl)-2-(methylamino)benzamide
CID 62172768
4-tert-butyl-N-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]benzenesulfonamide
CID 10096486
1-(2-chloro-4-pyridinyl)-2,2-dimethylpropan-1-one
CID 24723731
(2-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methanone
CID 114686077

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(methylamino)phenyl]-(2-chloro-4-pyridinyl)methanone?
The IUPAC name of [5-chloro-2-(methylamino)phenyl]-(2-chloro-4-pyridinyl)methanone (CID 90305435) is [5-chloro-2-(methylamino)phenyl]-(2-chloro-4-pyridinyl)methanone.
What is the SMILES notation for [5-chloro-2-(methylamino)phenyl]-(2-chloro-4-pyridinyl)methanone?
The canonical SMILES for [5-chloro-2-(methylamino)phenyl]-(2-chloro-4-pyridinyl)methanone is CNc1ccc(Cl)cc1C(=O)c1ccnc(Cl)c1.
What is the InChIKey of [5-chloro-2-(methylamino)phenyl]-(2-chloro-4-pyridinyl)methanone?
The InChIKey is JBNWXEHZGDUHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c1-16-11-3-2-9(14)7-10(11)13(18)8-4-5-17-12(15)6-8/h2-7,16H,1H3.
What are the key properties of [5-chloro-2-(methylamino)phenyl]-(2-chloro-4-pyridinyl)methanone?
[5-chloro-2-(methylamino)phenyl]-(2-chloro-4-pyridinyl)methanone has a molecular weight of 281.14 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(methylamino)phenyl]-(2-chloro-4-pyridinyl)methanone is sourced from PubChem (CID 90305435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).