CID 67884406

C6H4N2NaO2 — CID 67884406

IUPAC—
SMILESO=c1[nH]c2ncccc2o1.[Na]
InChIInChI=1S/C6H4N2O2.Na/c9-6-8-5-4(10-6)2-1-3-7-5;/h1-3H,(H,7,8,9);
InChIKeyJLACEHILVXSURQ-UHFFFAOYSA-N
MW159.10 g/mol
LogP0.14
Rot. Bonds

About CID 67884406

CID 67884406 (PubChem CID 67884406) has the molecular formula C6H4N2NaO2 and a molecular weight of 159.10 g/mol.

Molecular Properties

Compound NameCID 67884406
PubChem CID67884406
Molecular FormulaC6H4N2NaO2
Molecular Weight159.10 g/mol
Exact Mass159.02
IUPAC Name—
SMILESO=c1[nH]c2ncccc2o1.[Na]
InChIInChI=1S/C6H4N2O2.Na/c9-6-8-5-4(10-6)2-1-3-7-5;/h1-3H,(H,7,8,9);
InChIKeyJLACEHILVXSURQ-UHFFFAOYSA-N
XLogP0.14
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.10
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3H-[1,3]oxazolo[4,5-b]pyridin-2-one
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2-ethylhexanamide;3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 131728559
ethane;7-methyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 143569330
5-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 71710986
3H-[1,3]oxazolo[4,5-d]pyrimidin-6-ium-2-one
CID 123991954
5-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 84653939
6-pyridin-3-yl-3H-1,3-benzoxazol-2-one
CID 58255623
2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide
CID 110766430
dibenzofuran;9H-pyrido[2,3-b]indole
CID 175499202
6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 118654391
3H-1,3-benzoxazol-2-one;ethane;methane
CID 142031035
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide
CID 110678767

Frequently Asked Questions

What is the IUPAC name of CID 67884406?
The IUPAC name of CID 67884406 (CID 67884406) is not available.
What is the SMILES notation for CID 67884406?
The canonical SMILES for CID 67884406 is O=c1[nH]c2ncccc2o1.[Na].
What is the InChIKey of CID 67884406?
The InChIKey is JLACEHILVXSURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O2.Na/c9-6-8-5-4(10-6)2-1-3-7-5;/h1-3H,(H,7,8,9);.
What are the key properties of CID 67884406?
CID 67884406 has a molecular weight of 159.10 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67884406 is sourced from PubChem (CID 67884406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).