isoquinoline-3-carboxylic acid;rhenium

C10H7NO2Re — CID 59015469

IUPACisoquinoline-3-carboxylic acid;rhenium
SMILESO=C(O)c1cc2ccccc2cn1.[Re]
InChIInChI=1S/C10H7NO2.Re/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-6H,(H,12,13);
InChIKeyRUMWURSVYILKSO-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.93
Rot. Bonds1

About isoquinoline-3-carboxylic acid;rhenium

isoquinoline-3-carboxylic acid;rhenium (PubChem CID 59015469) has the molecular formula C10H7NO2Re and a molecular weight of 359.38 g/mol. Its IUPAC name is isoquinoline-3-carboxylic acid;rhenium.

Molecular Properties

Compound Nameisoquinoline-3-carboxylic acid;rhenium
PubChem CID59015469
Molecular FormulaC10H7NO2Re
Molecular Weight359.38 g/mol
Exact Mass360.00
IUPAC Nameisoquinoline-3-carboxylic acid;rhenium
SMILESO=C(O)c1cc2ccccc2cn1.[Re]
InChIInChI=1S/C10H7NO2.Re/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-6H,(H,12,13);
InChIKeyRUMWURSVYILKSO-UHFFFAOYSA-N
XLogP1.93
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-3-yl-2-phenylethanone
CID 15828622
7-aminoisoquinoline-3-carboxylic acid
CID 130056021
6-boronoisoquinoline-3-carboxylic acid
CID 122129745
ethane;methyl isoquinoline-3-carboxylate
CID 123724655
1-isoquinolin-3-yl-N-methylethanimine
CID 162729378
5-bromoisoquinoline-3-carboxylic acid
CID 75355525
5-(4-phenoxyphenyl)isoquinoline-3-carboxylic acid
CID 167987957
1,2,2-trifluoroethyl isoquinoline-3-carboxylate
CID 68871944
propyl isoquinoline-3-carboxylate
CID 162715167
5-(6-carboxy-3-pyridinyl)isoquinoline-3-carboxylic acid
CID 167921982
N-(2,6-difluorophenyl)isoquinoline-3-carboxamide
CID 110865287
N-(2-methylpropyl)isoquinoline-3-carboxamide
CID 110848375

Frequently Asked Questions

What is the IUPAC name of isoquinoline-3-carboxylic acid;rhenium?
The IUPAC name of isoquinoline-3-carboxylic acid;rhenium (CID 59015469) is isoquinoline-3-carboxylic acid;rhenium.
What is the SMILES notation for isoquinoline-3-carboxylic acid;rhenium?
The canonical SMILES for isoquinoline-3-carboxylic acid;rhenium is O=C(O)c1cc2ccccc2cn1.[Re].
What is the InChIKey of isoquinoline-3-carboxylic acid;rhenium?
The InChIKey is RUMWURSVYILKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2.Re/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-6H,(H,12,13);.
What are the key properties of isoquinoline-3-carboxylic acid;rhenium?
isoquinoline-3-carboxylic acid;rhenium has a molecular weight of 359.38 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinoline-3-carboxylic acid;rhenium is sourced from PubChem (CID 59015469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).