CID 119078369

C6H4NO2Se — CID 119078369

IUPAC—
SMILESO=C(O)c1cccnc1[Se]
InChIInChI=1S/C6H4NO2Se/c8-6(9)4-2-1-3-7-5(4)10/h1-3H,(H,8,9)
InChIKeyIPMSHCIDWDXIMM-UHFFFAOYSA-N
MW201.06 g/mol
LogP-0.43
Rot. Bonds1

About CID 119078369

CID 119078369 (PubChem CID 119078369) has the molecular formula C6H4NO2Se and a molecular weight of 201.06 g/mol.

Molecular Properties

Compound NameCID 119078369
PubChem CID119078369
Molecular FormulaC6H4NO2Se
Molecular Weight201.06 g/mol
Exact Mass201.94
IUPAC Name—
SMILESO=C(O)c1cccnc1[Se]
InChIInChI=1S/C6H4NO2Se/c8-6(9)4-2-1-3-7-5(4)10/h1-3H,(H,8,9)
InChIKeyIPMSHCIDWDXIMM-UHFFFAOYSA-N
XLogP-0.43
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

pyridine-2,3-dicarboxylic acid
CID 1066
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
(3-carboxy-2-pyridinyl)astatine
CID 174507208
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
2-(aminooxymethyl)pyridine-3-carboxylic acid
CID 127018679
2-(dihydroxymethyl)pyridine-3-carboxylic acid
CID 91298462
2-tert-butylpyridine-3-carboxylic acid
CID 20815660
palladium;quinoline-8-carboxylic acid
CID 174945118
2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123
2-(N-methylanilino)pyridine-3-carboxylic acid
CID 139145304
2-(2-oxopropoxy)pyridine-3-carboxylic acid
CID 89326483

Frequently Asked Questions

What is the IUPAC name of CID 119078369?
The IUPAC name of CID 119078369 (CID 119078369) is not available.
What is the SMILES notation for CID 119078369?
The canonical SMILES for CID 119078369 is O=C(O)c1cccnc1[Se].
What is the InChIKey of CID 119078369?
The InChIKey is IPMSHCIDWDXIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4NO2Se/c8-6(9)4-2-1-3-7-5(4)10/h1-3H,(H,8,9).
What are the key properties of CID 119078369?
CID 119078369 has a molecular weight of 201.06 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119078369 is sourced from PubChem (CID 119078369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).