(3-chloro-6-methylpyridazin-4-yl)-phenylmethanone

C12H9ClN2O — CID 86173615

IUPAC(3-chloro-6-methylpyridazin-4-yl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)c(Cl)nn1
InChIInChI=1S/C12H9ClN2O/c1-8-7-10(12(13)15-14-8)11(16)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyDKYVEFSDIHOYBM-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.67
Rot. Bonds2

About (3-chloro-6-methylpyridazin-4-yl)-phenylmethanone

(3-chloro-6-methylpyridazin-4-yl)-phenylmethanone (PubChem CID 86173615) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is (3-chloro-6-methylpyridazin-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-chloro-6-methylpyridazin-4-yl)-phenylmethanone
PubChem CID86173615
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name(3-chloro-6-methylpyridazin-4-yl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)c(Cl)nn1
InChIInChI=1S/C12H9ClN2O/c1-8-7-10(12(13)15-14-8)11(16)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyDKYVEFSDIHOYBM-UHFFFAOYSA-N
XLogP2.67
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methylpyridazin-4-yl)-phenylmethanone?
The IUPAC name of (3-chloro-6-methylpyridazin-4-yl)-phenylmethanone (CID 86173615) is (3-chloro-6-methylpyridazin-4-yl)-phenylmethanone.
What is the SMILES notation for (3-chloro-6-methylpyridazin-4-yl)-phenylmethanone?
The canonical SMILES for (3-chloro-6-methylpyridazin-4-yl)-phenylmethanone is Cc1cc(C(=O)c2ccccc2)c(Cl)nn1.
What is the InChIKey of (3-chloro-6-methylpyridazin-4-yl)-phenylmethanone?
The InChIKey is DKYVEFSDIHOYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c1-8-7-10(12(13)15-14-8)11(16)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of (3-chloro-6-methylpyridazin-4-yl)-phenylmethanone?
(3-chloro-6-methylpyridazin-4-yl)-phenylmethanone has a molecular weight of 232.67 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-methylpyridazin-4-yl)-phenylmethanone is sourced from PubChem (CID 86173615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).