CID 173358954

C9H8ClNO5 — CID 173358954

IUPAC—
SMILES[O-][Cl+3]([O-])([O-])O.c1ccc(-c2ncco2)cc1
InChIInChI=1S/C9H7NO.ClHO4/c1-2-4-8(5-3-1)9-10-6-7-11-9;2-1(3,4)5/h1-7H;(H,2,3,4,5)
InChIKeyDWRPJKWZRMFDMG-UHFFFAOYSA-N
MW245.62 g/mol
LogP-1.78
Rot. Bonds1

About CID 173358954

CID 173358954 (PubChem CID 173358954) has the molecular formula C9H8ClNO5 and a molecular weight of 245.62 g/mol.

Molecular Properties

Compound NameCID 173358954
PubChem CID173358954
Molecular FormulaC9H8ClNO5
Molecular Weight245.62 g/mol
Exact Mass245.01
IUPAC Name—
SMILES[O-][Cl+3]([O-])([O-])O.c1ccc(-c2ncco2)cc1
InChIInChI=1S/C9H7NO.ClHO4/c1-2-4-8(5-3-1)9-10-6-7-11-9;2-1(3,4)5/h1-7H;(H,2,3,4,5)
InChIKeyDWRPJKWZRMFDMG-UHFFFAOYSA-N
XLogP-1.78
TPSA115.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.62
LogP ≤ 5-1.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(1,3-oxazol-2-yl)benzenesulfinic acid
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2-(1-methyl-3-phenylpyrazol-4-yl)-1,3-oxazole
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Frequently Asked Questions

What is the IUPAC name of CID 173358954?
The IUPAC name of CID 173358954 (CID 173358954) is not available.
What is the SMILES notation for CID 173358954?
The canonical SMILES for CID 173358954 is [O-][Cl+3]([O-])([O-])O.c1ccc(-c2ncco2)cc1.
What is the InChIKey of CID 173358954?
The InChIKey is DWRPJKWZRMFDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.ClHO4/c1-2-4-8(5-3-1)9-10-6-7-11-9;2-1(3,4)5/h1-7H;(H,2,3,4,5).
What are the key properties of CID 173358954?
CID 173358954 has a molecular weight of 245.62 g/mol, XLogP of -1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173358954 is sourced from PubChem (CID 173358954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).