CID 87258887

C8H9ClLiN2O2 — CID 87258887

IUPAC—
SMILESCC(C)(C(=O)O)c1ccc(Cl)nn1.[Li]
InChIInChI=1S/C8H9ClN2O2.Li/c1-8(2,7(12)13)5-3-4-6(9)11-10-5;/h3-4H,1-2H3,(H,12,13);
InChIKeyDCODDJZZWLLKQO-UHFFFAOYSA-N
MW207.57 g/mol
LogP1.11
Rot. Bonds2

About CID 87258887

CID 87258887 (PubChem CID 87258887) has the molecular formula C8H9ClLiN2O2 and a molecular weight of 207.57 g/mol.

Molecular Properties

Compound NameCID 87258887
PubChem CID87258887
Molecular FormulaC8H9ClLiN2O2
Molecular Weight207.57 g/mol
Exact Mass207.05
IUPAC Name—
SMILESCC(C)(C(=O)O)c1ccc(Cl)nn1.[Li]
InChIInChI=1S/C8H9ClN2O2.Li/c1-8(2,7(12)13)5-3-4-6(9)11-10-5;/h3-4H,1-2H3,(H,12,13);
InChIKeyDCODDJZZWLLKQO-UHFFFAOYSA-N
XLogP1.11
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.57
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-(6-chloropyridazin-3-yl)carbamate
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6-chloropyridazine-3-carboxylic acid;propane
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1-(6-chloropyridazin-3-yl)ethanone
CID 46835648
2-(5-methoxy-2-pyridinyl)-2-methylpropanoic acid
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2-methyl-2-pyrimidin-4-ylpropanoic acid
CID 82414356
N-(6-chloropyridazin-3-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 154861203
2-(5,8-dimethylquinolin-2-yl)-2-methylpropanoic acid
CID 84630830
N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-chloropyridazine-3-carboxamide
CID 106276043
6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide
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CID 13016474

Frequently Asked Questions

What is the IUPAC name of CID 87258887?
The IUPAC name of CID 87258887 (CID 87258887) is not available.
What is the SMILES notation for CID 87258887?
The canonical SMILES for CID 87258887 is CC(C)(C(=O)O)c1ccc(Cl)nn1.[Li].
What is the InChIKey of CID 87258887?
The InChIKey is DCODDJZZWLLKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2.Li/c1-8(2,7(12)13)5-3-4-6(9)11-10-5;/h3-4H,1-2H3,(H,12,13);.
What are the key properties of CID 87258887?
CID 87258887 has a molecular weight of 207.57 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87258887 is sourced from PubChem (CID 87258887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).