CID 170844507

C10H7ClN2NaO — CID 170844507

IUPAC—
SMILESO=c1cc(Cl)[nH]nc1-c1ccccc1.[Na]
InChIInChI=1S/C10H7ClN2O.Na/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;/h1-6H,(H,12,14);
InChIKeyCLIMQWLKGBCRKO-UHFFFAOYSA-N
MW229.62 g/mol
LogP1.71
Rot. Bonds1

About CID 170844507

CID 170844507 (PubChem CID 170844507) has the molecular formula C10H7ClN2NaO and a molecular weight of 229.62 g/mol.

Molecular Properties

Compound NameCID 170844507
PubChem CID170844507
Molecular FormulaC10H7ClN2NaO
Molecular Weight229.62 g/mol
Exact Mass229.01
IUPAC Name—
SMILESO=c1cc(Cl)[nH]nc1-c1ccccc1.[Na]
InChIInChI=1S/C10H7ClN2O.Na/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;/h1-6H,(H,12,14);
InChIKeyCLIMQWLKGBCRKO-UHFFFAOYSA-N
XLogP1.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.62
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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6-chloro-3-(6-chloro-3-pyridinyl)-1H-pyridazin-4-one
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2-[(4-oxo-3-phenyl-1H-pyridazin-6-yl)amino]benzoic acid
CID 10958446
6-chloro-4-phenyl-2H-phthalazin-1-one
CID 134109277
4-chloro-5-fluoro-3-phenyl-1H-pyridazin-6-one
CID 88667827
5-methyl-3,4-diphenyl-1H-pyridazin-6-one
CID 13078220
4-phenyl-2H-phthalazin-1-one;hydrate
CID 51057017
4-[(Z)-2-chloroethenyl]-3-phenyl-1H-pyridazin-6-one
CID 102397728
6-chloro-3-(2-fluorophenoxy)-1H-pyridazin-4-one
CID 22940108
3-phenyl-4-(4-phenylpiperazin-1-yl)-1H-pyridazin-6-one
CID 5158500
(4-chloro-3-phenyl-1H-pyrazol-5-yl)methanethiol
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Frequently Asked Questions

What is the IUPAC name of CID 170844507?
The IUPAC name of CID 170844507 (CID 170844507) is not available.
What is the SMILES notation for CID 170844507?
The canonical SMILES for CID 170844507 is O=c1cc(Cl)[nH]nc1-c1ccccc1.[Na].
What is the InChIKey of CID 170844507?
The InChIKey is CLIMQWLKGBCRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O.Na/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;/h1-6H,(H,12,14);.
What are the key properties of CID 170844507?
CID 170844507 has a molecular weight of 229.62 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170844507 is sourced from PubChem (CID 170844507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).