CID 59145394

C9H4BiN3O2 — CID 59145394

IUPAC—
SMILESN#Cc1c(O)c2cc([Bi])cnc2[nH]c1=O
InChIInChI=1S/C9H4N3O2.Bi/c10-4-6-7(13)5-2-1-3-11-8(5)12-9(6)14;/h2-3H,(H2,11,12,13,14);
InChIKeyPEFHCCJNKSLZLB-UHFFFAOYSA-N
MW395.13 g/mol
LogP-0.71
Rot. Bonds

About CID 59145394

CID 59145394 (PubChem CID 59145394) has the molecular formula C9H4BiN3O2 and a molecular weight of 395.13 g/mol.

Molecular Properties

Compound NameCID 59145394
PubChem CID59145394
Molecular FormulaC9H4BiN3O2
Molecular Weight395.13 g/mol
Exact Mass395.01
IUPAC Name—
SMILESN#Cc1c(O)c2cc([Bi])cnc2[nH]c1=O
InChIInChI=1S/C9H4N3O2.Bi/c10-4-6-7(13)5-2-1-3-11-8(5)12-9(6)14;/h2-3H,(H2,11,12,13,14);
InChIKeyPEFHCCJNKSLZLB-UHFFFAOYSA-N
XLogP-0.71
TPSA89.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.13
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
CID 54699044
5-bromo-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 70833654
butane;4-hydroxy-6-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 143489828
6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile
CID 134987165
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 11679891
2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile
CID 121227406
1-[4-(6-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile
CID 67052929
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
CID 159463245
4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585362
5-(3-hydroxy-2,6-dimethylphenyl)-2-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
CID 176733004
4-(2-hydroxy-3,5-diiodophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584564
2-(2-chloropyrimidin-5-yl)-5-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
CID 177130134

Frequently Asked Questions

What is the IUPAC name of CID 59145394?
The IUPAC name of CID 59145394 (CID 59145394) is not available.
What is the SMILES notation for CID 59145394?
The canonical SMILES for CID 59145394 is N#Cc1c(O)c2cc([Bi])cnc2[nH]c1=O.
What is the InChIKey of CID 59145394?
The InChIKey is PEFHCCJNKSLZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4N3O2.Bi/c10-4-6-7(13)5-2-1-3-11-8(5)12-9(6)14;/h2-3H,(H2,11,12,13,14);.
What are the key properties of CID 59145394?
CID 59145394 has a molecular weight of 395.13 g/mol, XLogP of -0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59145394 is sourced from PubChem (CID 59145394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).