CID 70080980

C12H10KN2O2 — CID 70080980

IUPAC—
SMILESNC(=O)c1cc2ccccc2cc1C(N)=O.[K]
InChIInChI=1S/C12H10N2O2.K/c13-11(15)9-5-7-3-1-2-4-8(7)6-10(9)12(14)16;/h1-6H,(H2,13,15)(H2,14,16);
InChIKeySBAYXPMVCJSGQD-UHFFFAOYSA-N
MW253.32 g/mol
LogP0.66
Rot. Bonds2

About CID 70080980

CID 70080980 (PubChem CID 70080980) has the molecular formula C12H10KN2O2 and a molecular weight of 253.32 g/mol.

Molecular Properties

Compound NameCID 70080980
PubChem CID70080980
Molecular FormulaC12H10KN2O2
Molecular Weight253.32 g/mol
Exact Mass253.04
IUPAC Name—
SMILESNC(=O)c1cc2ccccc2cc1C(N)=O.[K]
InChIInChI=1S/C12H10N2O2.K/c13-11(15)9-5-7-3-1-2-4-8(7)6-10(9)12(14)16;/h1-6H,(H2,13,15)(H2,14,16);
InChIKeySBAYXPMVCJSGQD-UHFFFAOYSA-N
XLogP0.66
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-carboniodidoylnaphthalene-2-carboxylic acid
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CID 129133768
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3-iodonaphthalene-2-carboxylic acid
CID 11460714
2-phenylquinoline-3-carboxamide
CID 22159420
carbamic acid;naphthalene
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Frequently Asked Questions

What is the IUPAC name of CID 70080980?
The IUPAC name of CID 70080980 (CID 70080980) is not available.
What is the SMILES notation for CID 70080980?
The canonical SMILES for CID 70080980 is NC(=O)c1cc2ccccc2cc1C(N)=O.[K].
What is the InChIKey of CID 70080980?
The InChIKey is SBAYXPMVCJSGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2.K/c13-11(15)9-5-7-3-1-2-4-8(7)6-10(9)12(14)16;/h1-6H,(H2,13,15)(H2,14,16);.
What are the key properties of CID 70080980?
CID 70080980 has a molecular weight of 253.32 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70080980 is sourced from PubChem (CID 70080980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).