[5-chloro-6-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3-pyridinyl]methanol;5-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one

C34H25Cl5N6O3 — CID 160958023

IUPAC[5-chloro-6-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3-pyridinyl]methanol;5-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(-c2ncc(CO)cc2Cl)c1-c1ccc(Cl)cc1.Cc1nnc(Cl)c(-c2ncc(CO)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl3N3O.C17H13Cl2N3O2/c1-9-14(11-2-4-12(18)5-3-11)15(17(20)23-22-9)16-13(19)6-10(8-24)7-21-16;1-9-14(11-2-4-12(18)5-3-11)15(17(24)22-21-9)16-13(19)6-10(8-23)7-20-16/h2-7,24H,8H2,1H3;2-7,23H,8H2,1H3,(H,22,24)
InChIKeySWQNVJKIMVQCQF-UHFFFAOYSA-N
MW742.88 g/mol
LogP8.57
Rot. Bonds6

About [5-chloro-6-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3-pyridinyl]methanol;5-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one

[5-chloro-6-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3-pyridinyl]methanol;5-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one (PubChem CID 160958023) has the molecular formula C34H25Cl5N6O3 and a molecular weight of 742.88 g/mol. Its IUPAC name is [5-chloro-6-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3-pyridinyl]methanol;5-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name[5-chloro-6-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3-pyridinyl]methanol;5-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one
PubChem CID160958023
Molecular FormulaC34H25Cl5N6O3
Molecular Weight742.88 g/mol
Exact Mass740.04
IUPAC Name[5-chloro-6-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3-pyridinyl]methanol;5-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(-c2ncc(CO)cc2Cl)c1-c1ccc(Cl)cc1.Cc1nnc(Cl)c(-c2ncc(CO)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl3N3O.C17H13Cl2N3O2/c1-9-14(11-2-4-12(18)5-3-11)15(17(20)23-22-9)16-13(19)6-10(8-24)7-21-16;1-9-14(11-2-4-12(18)5-3-11)15(17(24)22-21-9)16-13(19)6-10(8-23)7-20-16/h2-7,24H,8H2,1H3;2-7,23H,8H2,1H3,(H,22,24)
InChIKeySWQNVJKIMVQCQF-UHFFFAOYSA-N
XLogP8.57
TPSA137.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.88
LogP ≤ 58.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [5-chloro-6-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3-pyridinyl]methanol;5-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one with MolForge

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Launch Full Analysis

Related Compounds

4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-2,5-dimethyl-1,3-thiazole;4-(4-chlorophenyl)-5-(2,5-dimethyl-1,3-thiazol-4-yl)-3-methyl-1H-pyridazin-6-one
CID 158071375
4-(4-chlorophenyl)-5-(3,5-difluoro-2-pyridinyl)-3-methyl-1H-pyridazin-6-one;(2Z)-1-(4-chlorophenyl)-2-hydrazinylidenepropan-1-one;ethyl 2-(3,5-difluoro-2-pyridinyl)acetate
CID 172929120
3-chloro-5-[4-(4-chlorophenyl)sulfanylphenyl]-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine
CID 87511139
[5-chloro-6-(4-chloroanilino)-3-pyridinyl]methanol
CID 69074362
(5-chloro-6-iodo-3-pyridinyl)methanol
CID 58001734
[2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid
CID 68713665
5-(bromomethyl)-2,3-dichloropyridine;(5,6-dichloro-3-pyridinyl)methanol
CID 158882094
[4-[5-(4-chlorophenyl)-6-oxo-1H-pyridazin-4-yl]phenyl]methanesulfinate
CID 174375147
5-(4-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889882
5-(4-chloro-3-methylphenyl)-2-[(4-chlorophenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890403
3-(4-chlorophenyl)-6-methyl-4H-1,2,4-triazin-5-one
CID 135472873
[3-(5-chloro-3-fluoro-2-pyridinyl)phenyl]methanol
CID 118042447

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3-pyridinyl]methanol;5-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one?
The IUPAC name of [5-chloro-6-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3-pyridinyl]methanol;5-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one (CID 160958023) is [5-chloro-6-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3-pyridinyl]methanol;5-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one.
What is the SMILES notation for [5-chloro-6-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3-pyridinyl]methanol;5-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one?
The canonical SMILES for [5-chloro-6-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3-pyridinyl]methanol;5-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one is Cc1n[nH]c(=O)c(-c2ncc(CO)cc2Cl)c1-c1ccc(Cl)cc1.Cc1nnc(Cl)c(-c2ncc(CO)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of [5-chloro-6-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3-pyridinyl]methanol;5-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one?
The InChIKey is SWQNVJKIMVQCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3N3O.C17H13Cl2N3O2/c1-9-14(11-2-4-12(18)5-3-11)15(17(20)23-22-9)16-13(19)6-10(8-24)7-21-16;1-9-14(11-2-4-12(18)5-3-11)15(17(24)22-21-9)16-13(19)6-10(8-23)7-20-16/h2-7,24H,8H2,1H3;2-7,23H,8H2,1H3,(H,22,24).
What are the key properties of [5-chloro-6-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3-pyridinyl]methanol;5-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one?
[5-chloro-6-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3-pyridinyl]methanol;5-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one has a molecular weight of 742.88 g/mol, XLogP of 8.57, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3-pyridinyl]methanol;5-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 160958023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).