3-(3-bromopropoxy)-5-fluoro-1H-indazole

C10H10BrFN2O — CID 119093883

IUPAC3-(3-bromopropoxy)-5-fluoro-1H-indazole
SMILESFc1ccc2[nH]nc(OCCCBr)c2c1
InChIInChI=1S/C10H10BrFN2O/c11-4-1-5-15-10-8-6-7(12)2-3-9(8)13-14-10/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyNXDPNDZGGLEQQB-UHFFFAOYSA-N
MW273.10 g/mol
LogP2.87
Rot. Bonds4

About 3-(3-bromopropoxy)-5-fluoro-1H-indazole

3-(3-bromopropoxy)-5-fluoro-1H-indazole (PubChem CID 119093883) has the molecular formula C10H10BrFN2O and a molecular weight of 273.10 g/mol. Its IUPAC name is 3-(3-bromopropoxy)-5-fluoro-1H-indazole.

Molecular Properties

Compound Name3-(3-bromopropoxy)-5-fluoro-1H-indazole
PubChem CID119093883
Molecular FormulaC10H10BrFN2O
Molecular Weight273.10 g/mol
Exact Mass272.00
IUPAC Name3-(3-bromopropoxy)-5-fluoro-1H-indazole
SMILESFc1ccc2[nH]nc(OCCCBr)c2c1
InChIInChI=1S/C10H10BrFN2O/c11-4-1-5-15-10-8-6-7(12)2-3-9(8)13-14-10/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyNXDPNDZGGLEQQB-UHFFFAOYSA-N
XLogP2.87
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-3-piperidin-4-yloxy-1H-indazole
CID 84698532
5-nitro-3-propoxy-1H-indazole
CID 76846129
3-(2-aminoethyl)-6-fluoro-1H-cinnolin-4-one
CID 82507284
1-(4-bromobutoxy)-4-fluoro-2-iodobenzene
CID 156504900
2-[(6-methyl-1H-indazol-3-yl)oxy]ethanamine
CID 84663326
5-fluoro-N-methyl-1H-indazole-3-carboxamide
CID 110469324
1-(3-bromopropoxy)-4-fluoro-2-nitrobenzene
CID 62368338
3-acetyl-6-fluoro-1H-cinnolin-4-one
CID 39733177
5-iodo-3-methoxy-1H-indazole
CID 133062595
3-(bromomethyl)-6-fluoro-2H-indazole
CID 10823278
2-(5-bromopentyl)-5-fluoro-3-iodoindazole
CID 90216678
3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea
CID 110470406

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromopropoxy)-5-fluoro-1H-indazole?
The IUPAC name of 3-(3-bromopropoxy)-5-fluoro-1H-indazole (CID 119093883) is 3-(3-bromopropoxy)-5-fluoro-1H-indazole.
What is the SMILES notation for 3-(3-bromopropoxy)-5-fluoro-1H-indazole?
The canonical SMILES for 3-(3-bromopropoxy)-5-fluoro-1H-indazole is Fc1ccc2[nH]nc(OCCCBr)c2c1.
What is the InChIKey of 3-(3-bromopropoxy)-5-fluoro-1H-indazole?
The InChIKey is NXDPNDZGGLEQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O/c11-4-1-5-15-10-8-6-7(12)2-3-9(8)13-14-10/h2-3,6H,1,4-5H2,(H,13,14).
What are the key properties of 3-(3-bromopropoxy)-5-fluoro-1H-indazole?
3-(3-bromopropoxy)-5-fluoro-1H-indazole has a molecular weight of 273.10 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromopropoxy)-5-fluoro-1H-indazole is sourced from PubChem (CID 119093883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).