(2S)-1-(6-nitroindazol-1-yl)propan-2-ol

C10H11N3O3 — CID 106932950

IUPAC(2S)-1-(6-nitroindazol-1-yl)propan-2-ol
SMILESC[C@H](O)Cn1ncc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C10H11N3O3/c1-7(14)6-12-10-4-9(13(15)16)3-2-8(10)5-11-12/h2-5,7,14H,6H2,1H3/t7-/m0/s1
InChIKeyDPJWGBMJEHSPHW-ZETCQYMHSA-N
MW221.22 g/mol
LogP1.33
Rot. Bonds3

About (2S)-1-(6-nitroindazol-1-yl)propan-2-ol

(2S)-1-(6-nitroindazol-1-yl)propan-2-ol (PubChem CID 106932950) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is (2S)-1-(6-nitroindazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(6-nitroindazol-1-yl)propan-2-ol
PubChem CID106932950
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name(2S)-1-(6-nitroindazol-1-yl)propan-2-ol
SMILESC[C@H](O)Cn1ncc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C10H11N3O3/c1-7(14)6-12-10-4-9(13(15)16)3-2-8(10)5-11-12/h2-5,7,14H,6H2,1H3/t7-/m0/s1
InChIKeyDPJWGBMJEHSPHW-ZETCQYMHSA-N
XLogP1.33
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol
CID 63930886
1-[2-(bromomethyl)pentyl]-6-nitroindazole
CID 65010798
1-butyl-6-nitroindazole
CID 155169975
1-[(2R)-2-methoxypropyl]-5-nitroindazole
CID 141387350
1-(5-chloropentyl)-6-nitroindazole
CID 43348333
1-[(4-tert-butylphenyl)methyl]-6-nitroindazole
CID 16796352
methane;methyl 6-nitroindazole-1-carboxylate
CID 174489049
4-(6-nitroindazol-1-yl)pentanoic acid
CID 62215418
2-methyl-N-[3-(6-nitroindazol-1-yl)propyl]propan-2-amine
CID 61387689
N-[(1R)-2-methyl-1-phenylpropyl]-3-(6-nitroindazol-1-yl)propanamide
CID 51950730

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6-nitroindazol-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-(6-nitroindazol-1-yl)propan-2-ol (CID 106932950) is (2S)-1-(6-nitroindazol-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(6-nitroindazol-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(6-nitroindazol-1-yl)propan-2-ol is C[C@H](O)Cn1ncc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of (2S)-1-(6-nitroindazol-1-yl)propan-2-ol?
The InChIKey is DPJWGBMJEHSPHW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-7(14)6-12-10-4-9(13(15)16)3-2-8(10)5-11-12/h2-5,7,14H,6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-(6-nitroindazol-1-yl)propan-2-ol?
(2S)-1-(6-nitroindazol-1-yl)propan-2-ol has a molecular weight of 221.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6-nitroindazol-1-yl)propan-2-ol is sourced from PubChem (CID 106932950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).