6-methoxy-1H-indazole-4-carbonitrile

C9H7N3O — CID 130063102

IUPAC6-methoxy-1H-indazole-4-carbonitrile
SMILESCOc1cc(C#N)c2cn[nH]c2c1
InChIInChI=1S/C9H7N3O/c1-13-7-2-6(4-10)8-5-11-12-9(8)3-7/h2-3,5H,1H3,(H,11,12)
InChIKeyKHRKEOJZGZHJNX-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.44
Rot. Bonds1

About 6-methoxy-1H-indazole-4-carbonitrile

6-methoxy-1H-indazole-4-carbonitrile (PubChem CID 130063102) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 6-methoxy-1H-indazole-4-carbonitrile.

Molecular Properties

Compound Name6-methoxy-1H-indazole-4-carbonitrile
PubChem CID130063102
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name6-methoxy-1H-indazole-4-carbonitrile
SMILESCOc1cc(C#N)c2cn[nH]c2c1
InChIInChI=1S/C9H7N3O/c1-13-7-2-6(4-10)8-5-11-12-9(8)3-7/h2-3,5H,1H3,(H,11,12)
InChIKeyKHRKEOJZGZHJNX-UHFFFAOYSA-N
XLogP1.44
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-1H-indazol-4-amine
CID 24729622
6-acetyl-1H-indazole-4-carbonitrile
CID 163708839
6-methoxy-4-phenyl-1H-indazole
CID 127046307
4-chloro-1H-indazole-5-carbonitrile
CID 53399359
6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carbonitrile
CID 139269810
6-methoxy-1H-indole-3-carbonitrile
CID 53401197
4-fluoro-1H-indazole-6-carbonitrile
CID 53399325
4-propan-2-yl-6-propan-2-yloxy-1H-indazole
CID 167286379
6,8-dimethoxyisoquinoline-4-carbonitrile
CID 57440605
4-hydroxy-1H-indazole-6-carbonitrile
CID 136654039
8-methoxy-3H-pyrazolo[3,4-c]quinoline
CID 141354745
2-[(5-amino-1H-pyrazol-4-yl)methylamino]-4-methoxybenzonitrile
CID 81305001

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1H-indazole-4-carbonitrile?
The IUPAC name of 6-methoxy-1H-indazole-4-carbonitrile (CID 130063102) is 6-methoxy-1H-indazole-4-carbonitrile.
What is the SMILES notation for 6-methoxy-1H-indazole-4-carbonitrile?
The canonical SMILES for 6-methoxy-1H-indazole-4-carbonitrile is COc1cc(C#N)c2cn[nH]c2c1.
What is the InChIKey of 6-methoxy-1H-indazole-4-carbonitrile?
The InChIKey is KHRKEOJZGZHJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c1-13-7-2-6(4-10)8-5-11-12-9(8)3-7/h2-3,5H,1H3,(H,11,12).
What are the key properties of 6-methoxy-1H-indazole-4-carbonitrile?
6-methoxy-1H-indazole-4-carbonitrile has a molecular weight of 173.17 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1H-indazole-4-carbonitrile is sourced from PubChem (CID 130063102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).