6-chloro-3-phenyl-1H-pyridazin-4-one;3-hydroxypyridine-2-carboxylic acid

C16H12ClN3O4 — CID 87996336

IUPAC6-chloro-3-phenyl-1H-pyridazin-4-one;3-hydroxypyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1O.O=c1cc(Cl)[nH]nc1-c1ccccc1
InChIInChI=1S/C10H7ClN2O.C6H5NO3/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;8-4-2-1-3-7-5(4)6(9)10/h1-6H,(H,12,14);1-3,8H,(H,9,10)
InChIKeyWKMWQZRLDQWFKC-UHFFFAOYSA-N
MW345.74 g/mol
LogP2.58
Rot. Bonds2

About 6-chloro-3-phenyl-1H-pyridazin-4-one;3-hydroxypyridine-2-carboxylic acid

6-chloro-3-phenyl-1H-pyridazin-4-one;3-hydroxypyridine-2-carboxylic acid (PubChem CID 87996336) has the molecular formula C16H12ClN3O4 and a molecular weight of 345.74 g/mol. Its IUPAC name is 6-chloro-3-phenyl-1H-pyridazin-4-one;3-hydroxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-phenyl-1H-pyridazin-4-one;3-hydroxypyridine-2-carboxylic acid
PubChem CID87996336
Molecular FormulaC16H12ClN3O4
Molecular Weight345.74 g/mol
Exact Mass345.05
IUPAC Name6-chloro-3-phenyl-1H-pyridazin-4-one;3-hydroxypyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1O.O=c1cc(Cl)[nH]nc1-c1ccccc1
InChIInChI=1S/C10H7ClN2O.C6H5NO3/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;8-4-2-1-3-7-5(4)6(9)10/h1-6H,(H,12,14);1-3,8H,(H,9,10)
InChIKeyWKMWQZRLDQWFKC-UHFFFAOYSA-N
XLogP2.58
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.74
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

AN-0128
CID 11704019
3-Hydroxy-2-phenylpyridine-4-carboxylic acid
CID 131499742
5-(3-Chlorophenyl)-3-hydroxy-2-pyridinecarboxylic acid
CID 67212091
Bis(4-chloro-2-methylphenyl)boranyl 3-hydroxypyridine-2-carboxylate
CID 11858003
5-Hydroxy-2-phenylpyridine-4-carboxylic acid
CID 83821491
2-Benzyl-3-hydroxypyridine-4-carboxylic acid
CID 145991152
[(3-Chloro-4-methylphenyl)-(4-methylphenyl)boranyl] 3-hydroxypyridine-2-carboxylate
CID 44420098
[(3-Chloro-4-methylphenyl)-(2-phenylethyl)boranyl] 3-hydroxypyridine-2-carboxylate
CID 44420121
[(3-Chlorophenyl)-(2-methylphenyl)boranyl] 3-hydroxypyridine-2-carboxylate
CID 44420134
US10889546, US2007/0299086 Table 2.3
CID 122579520
3-Hydroxy-4-methylpyridine-2-carboxylic acid hydrochloride
CID 134690917
3-Hydroxy-4-methylpyridine-2-carboxylic acid
CID 18681942

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-phenyl-1H-pyridazin-4-one;3-hydroxypyridine-2-carboxylic acid?
The IUPAC name of 6-chloro-3-phenyl-1H-pyridazin-4-one;3-hydroxypyridine-2-carboxylic acid (CID 87996336) is 6-chloro-3-phenyl-1H-pyridazin-4-one;3-hydroxypyridine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-3-phenyl-1H-pyridazin-4-one;3-hydroxypyridine-2-carboxylic acid?
The canonical SMILES for 6-chloro-3-phenyl-1H-pyridazin-4-one;3-hydroxypyridine-2-carboxylic acid is O=C(O)c1ncccc1O.O=c1cc(Cl)[nH]nc1-c1ccccc1.
What is the InChIKey of 6-chloro-3-phenyl-1H-pyridazin-4-one;3-hydroxypyridine-2-carboxylic acid?
The InChIKey is WKMWQZRLDQWFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O.C6H5NO3/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;8-4-2-1-3-7-5(4)6(9)10/h1-6H,(H,12,14);1-3,8H,(H,9,10).
What are the key properties of 6-chloro-3-phenyl-1H-pyridazin-4-one;3-hydroxypyridine-2-carboxylic acid?
6-chloro-3-phenyl-1H-pyridazin-4-one;3-hydroxypyridine-2-carboxylic acid has a molecular weight of 345.74 g/mol, XLogP of 2.58, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-phenyl-1H-pyridazin-4-one;3-hydroxypyridine-2-carboxylic acid is sourced from PubChem (CID 87996336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).