1H-indazol-6-yl furan-2-carboxylate

C12H8N2O3 — CID 71857506

IUPAC1H-indazol-6-yl furan-2-carboxylate
SMILESO=C(Oc1ccc2cn[nH]c2c1)c1ccco1
InChIInChI=1S/C12H8N2O3/c15-12(11-2-1-5-16-11)17-9-4-3-8-7-13-14-10(8)6-9/h1-7H,(H,13,14)
InChIKeyDFXHOCWDEPAZHG-UHFFFAOYSA-N
MW228.21 g/mol
LogP2.38
Rot. Bonds2

About 1H-indazol-6-yl furan-2-carboxylate

1H-indazol-6-yl furan-2-carboxylate (PubChem CID 71857506) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 1H-indazol-6-yl furan-2-carboxylate.

Molecular Properties

Compound Name1H-indazol-6-yl furan-2-carboxylate
PubChem CID71857506
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name1H-indazol-6-yl furan-2-carboxylate
SMILESO=C(Oc1ccc2cn[nH]c2c1)c1ccco1
InChIInChI=1S/C12H8N2O3/c15-12(11-2-1-5-16-11)17-9-4-3-8-7-13-14-10(8)6-9/h1-7H,(H,13,14)
InChIKeyDFXHOCWDEPAZHG-UHFFFAOYSA-N
XLogP2.38
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indazol-6-ylcarbamothioyl)furan-2-carboxamide
CID 91824430
[3-bromo-4-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate
CID 1097530
(2-methyl-1,3-benzoxazol-5-yl) furan-2-carboxylate
CID 110494861
1-(furan-2-yl)-3-(1H-indazol-6-yl)urea
CID 108868544
6-pyridin-3-yloxy-1H-indazole
CID 118649525
ethane;6-methoxy-1H-indazole
CID 144719676
(3-formylphenyl) furan-2-carboxylate
CID 565183
(4-propan-2-ylphenyl) furan-2-carboxylate
CID 723691
(3,5-dichloro-2-pyridinyl) furan-2-carboxylate
CID 50876798
[4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate
CID 1234570
(2-oxo-1,3-benzoxathiol-5-yl) furan-2-carboxylate
CID 707385
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide
CID 99794548

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-6-yl furan-2-carboxylate?
The IUPAC name of 1H-indazol-6-yl furan-2-carboxylate (CID 71857506) is 1H-indazol-6-yl furan-2-carboxylate.
What is the SMILES notation for 1H-indazol-6-yl furan-2-carboxylate?
The canonical SMILES for 1H-indazol-6-yl furan-2-carboxylate is O=C(Oc1ccc2cn[nH]c2c1)c1ccco1.
What is the InChIKey of 1H-indazol-6-yl furan-2-carboxylate?
The InChIKey is DFXHOCWDEPAZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c15-12(11-2-1-5-16-11)17-9-4-3-8-7-13-14-10(8)6-9/h1-7H,(H,13,14).
What are the key properties of 1H-indazol-6-yl furan-2-carboxylate?
1H-indazol-6-yl furan-2-carboxylate has a molecular weight of 228.21 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-6-yl furan-2-carboxylate is sourced from PubChem (CID 71857506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).