1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol

C11H13N3O4 — CID 63930886

IUPAC1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol
SMILESCOCC(O)Cn1ncc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C11H13N3O4/c1-18-7-10(15)6-13-11-4-9(14(16)17)3-2-8(11)5-12-13/h2-5,10,15H,6-7H2,1H3
InChIKeyQBXDUSNEGCCSDB-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.95
Rot. Bonds5

About 1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol

1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol (PubChem CID 63930886) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol
PubChem CID63930886
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol
SMILESCOCC(O)Cn1ncc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C11H13N3O4/c1-18-7-10(15)6-13-11-4-9(14(16)17)3-2-8(11)5-12-13/h2-5,10,15H,6-7H2,1H3
InChIKeyQBXDUSNEGCCSDB-UHFFFAOYSA-N
XLogP0.95
TPSA90.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(6-nitroindazol-1-yl)butan-2-ol
CID 60884485
1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol
CID 112560077
(2S)-1-(6-nitroindazol-1-yl)propan-2-ol
CID 106932950
1-[2-(bromomethyl)pentyl]-6-nitroindazole
CID 65010798
1-butyl-6-nitroindazole
CID 155169975
methane;methyl 6-nitroindazole-1-carboxylate
CID 174489049
3-methoxy-2-(6-nitroindazol-1-yl)propanehydrazide
CID 103229843
1-[(2R)-2-methoxypropyl]-5-nitroindazole
CID 141387350
1-(5-chloropentyl)-6-nitroindazole
CID 43348333
1-[(4-tert-butylphenyl)methyl]-6-nitroindazole
CID 16796352
(5-chlorothiophen-2-yl)methyl-methyl-[(6-nitroindazol-1-yl)methyl]azanium
CID 9172013
1-indazol-1-yl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989379

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol?
The IUPAC name of 1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol (CID 63930886) is 1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol?
The canonical SMILES for 1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol is COCC(O)Cn1ncc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol?
The InChIKey is QBXDUSNEGCCSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-18-7-10(15)6-13-11-4-9(14(16)17)3-2-8(11)5-12-13/h2-5,10,15H,6-7H2,1H3.
What are the key properties of 1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol?
1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol has a molecular weight of 251.24 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol is sourced from PubChem (CID 63930886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).