4-(6-fluoro-2H-indazol-3-yl)-2-methylbutan-1-ol

C12H15FN2O — CID 57305860

IUPAC4-(6-fluoro-2H-indazol-3-yl)-2-methylbutan-1-ol
SMILESCC(CO)CCc1[nH]nc2cc(F)ccc12
InChIInChI=1S/C12H15FN2O/c1-8(7-16)2-5-11-10-4-3-9(13)6-12(10)15-14-11/h3-4,6,8,16H,2,5,7H2,1H3,(H,14,15)
InChIKeyHZNYPSQQPRVTID-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.26
Rot. Bonds4

About 4-(6-fluoro-2H-indazol-3-yl)-2-methylbutan-1-ol

4-(6-fluoro-2H-indazol-3-yl)-2-methylbutan-1-ol (PubChem CID 57305860) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 4-(6-fluoro-2H-indazol-3-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-(6-fluoro-2H-indazol-3-yl)-2-methylbutan-1-ol
PubChem CID57305860
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name4-(6-fluoro-2H-indazol-3-yl)-2-methylbutan-1-ol
SMILESCC(CO)CCc1[nH]nc2cc(F)ccc12
InChIInChI=1S/C12H15FN2O/c1-8(7-16)2-5-11-10-4-3-9(13)6-12(10)15-14-11/h3-4,6,8,16H,2,5,7H2,1H3,(H,14,15)
InChIKeyHZNYPSQQPRVTID-UHFFFAOYSA-N
XLogP2.26
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-fluoro-2H-indazol-3-yl)propan-2-amine
CID 83907519
3-(6-fluoro-2H-indazol-3-yl)propanoic acid
CID 83909180
3-(3-methylbutyl)-2H-indazol-6-ol
CID 136619287
3-(4,4-dimethylpentyl)-6-fluoro-2H-indazole
CID 166973737
3-(bromomethyl)-6-fluoro-2H-indazole
CID 10823278
(2R)-1-(5-fluoro-2H-indazol-3-yl)propan-2-amine
CID 92670275
2-(6-fluoro-2H-indazol-3-yl)propanoic acid
CID 83909181
3-(2-methylpropyl)-2H-indazol-6-ol
CID 136693478
ethane;6-fluoro-3-methyl-2H-indazole
CID 145099326
3-[2-(4-fluorophenyl)ethyl]-2H-indazole
CID 141075671
6-chloro-3-(3,3,3-trifluoropropyl)-2H-indazole
CID 118994156
1-(5-fluoro-2H-indazol-3-yl)-N-methylethanamine
CID 83907515

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2H-indazol-3-yl)-2-methylbutan-1-ol?
The IUPAC name of 4-(6-fluoro-2H-indazol-3-yl)-2-methylbutan-1-ol (CID 57305860) is 4-(6-fluoro-2H-indazol-3-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 4-(6-fluoro-2H-indazol-3-yl)-2-methylbutan-1-ol?
The canonical SMILES for 4-(6-fluoro-2H-indazol-3-yl)-2-methylbutan-1-ol is CC(CO)CCc1[nH]nc2cc(F)ccc12.
What is the InChIKey of 4-(6-fluoro-2H-indazol-3-yl)-2-methylbutan-1-ol?
The InChIKey is HZNYPSQQPRVTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8(7-16)2-5-11-10-4-3-9(13)6-12(10)15-14-11/h3-4,6,8,16H,2,5,7H2,1H3,(H,14,15).
What are the key properties of 4-(6-fluoro-2H-indazol-3-yl)-2-methylbutan-1-ol?
4-(6-fluoro-2H-indazol-3-yl)-2-methylbutan-1-ol has a molecular weight of 222.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2H-indazol-3-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 57305860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).