1H-indazol-4-yl formate

C8H6N2O2 — CID 134537782

IUPAC1H-indazol-4-yl formate
SMILESO=COc1cccc2[nH]ncc12
InChIInChI=1S/C8H6N2O2/c11-5-12-8-3-1-2-7-6(8)4-9-10-7/h1-5H,(H,9,10)
InChIKeyBKOVUVYIAJGQDM-UHFFFAOYSA-N
MW162.15 g/mol
LogP1.10
Rot. Bonds2

About 1H-indazol-4-yl formate

1H-indazol-4-yl formate (PubChem CID 134537782) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 1H-indazol-4-yl formate.

Molecular Properties

Compound Name1H-indazol-4-yl formate
PubChem CID134537782
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name1H-indazol-4-yl formate
SMILESO=COc1cccc2[nH]ncc12
InChIInChI=1S/C8H6N2O2/c11-5-12-8-3-1-2-7-6(8)4-9-10-7/h1-5H,(H,9,10)
InChIKeyBKOVUVYIAJGQDM-UHFFFAOYSA-N
XLogP1.10
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-indazol-4-yloxyimino-methyl-oxidoazanium
CID 58667118
(2S)-2-(1H-indazol-4-yloxy)propanoic acid
CID 137347017
CID 174665708
CID 174665708
3-(1H-indazol-4-yloxy)-1-thiophen-2-ylpropan-1-amine
CID 67599933
[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl] formate
CID 175295501
1H-indazol-4-amine;dihydrochloride
CID 18779330
(5-methoxynaphthalen-1-yl) formate
CID 11447000
4-(pyrrolidin-2-ylmethoxy)-1H-indazole
CID 84682893
1H-indazole;methyl formate
CID 174916926
(5-fluoronaphthalen-1-yl) formate
CID 57195526
sodium;4-chloro-1H-indazole;hydride
CID 175559887
sodium;hydride;1H-indazole-4-thiol
CID 175160320

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-4-yl formate?
The IUPAC name of 1H-indazol-4-yl formate (CID 134537782) is 1H-indazol-4-yl formate.
What is the SMILES notation for 1H-indazol-4-yl formate?
The canonical SMILES for 1H-indazol-4-yl formate is O=COc1cccc2[nH]ncc12.
What is the InChIKey of 1H-indazol-4-yl formate?
The InChIKey is BKOVUVYIAJGQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-5-12-8-3-1-2-7-6(8)4-9-10-7/h1-5H,(H,9,10).
What are the key properties of 1H-indazol-4-yl formate?
1H-indazol-4-yl formate has a molecular weight of 162.15 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-4-yl formate is sourced from PubChem (CID 134537782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).