6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide

C12H9Cl2N3O — CID 54927236

IUPAC6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C12H9Cl2N3O/c1-7-8(13)3-2-4-9(7)15-12(18)10-5-6-11(14)17-16-10/h2-6H,1H3,(H,15,18)
InChIKeyPJCMCMVVEILDFY-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.34
Rot. Bonds2

About 6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide

6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide (PubChem CID 54927236) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
PubChem CID54927236
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C12H9Cl2N3O/c1-7-8(13)3-2-4-9(7)15-12(18)10-5-6-11(14)17-16-10/h2-6H,1H3,(H,15,18)
InChIKeyPJCMCMVVEILDFY-UHFFFAOYSA-N
XLogP3.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
N-(3-chloro-2-methylphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109127162
6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453081
N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128462
6-chloro-N-(2-iodophenyl)pyridazine-3-carboxamide
CID 54927074
6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide
CID 60859186
N-(2,3-dichlorophenyl)-6-methylpyridazine-3-carboxamide
CID 110705384
6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109125594
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
6-chloro-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 60859833
6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 103874055
6-N-(3-chloro-2-methylphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100060

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide (CID 54927236) is 6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide?
The InChIKey is PJCMCMVVEILDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c1-7-8(13)3-2-4-9(7)15-12(18)10-5-6-11(14)17-16-10/h2-6H,1H3,(H,15,18).
What are the key properties of 6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide?
6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide has a molecular weight of 282.13 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 54927236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).