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

C10H10ClN3O3 — CID 112560077

IUPAC1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol
SMILESO=[N+]([O-])c1ccc2cnn(CC(O)CCl)c2c1
InChIInChI=1S/C10H10ClN3O3/c11-4-9(15)6-13-10-3-8(14(16)17)2-1-7(10)5-12-13/h1-3,5,9,15H,4,6H2
InChIKeyBQNSAGJSACXSDS-UHFFFAOYSA-N
MW255.66 g/mol
LogP1.54
Rot. Bonds4

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

1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol (PubChem CID 112560077) has the molecular formula C10H10ClN3O3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol
PubChem CID112560077
Molecular FormulaC10H10ClN3O3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol
SMILESO=[N+]([O-])c1ccc2cnn(CC(O)CCl)c2c1
InChIInChI=1S/C10H10ClN3O3/c11-4-9(15)6-13-10-3-8(14(16)17)2-1-7(10)5-12-13/h1-3,5,9,15H,4,6H2
InChIKeyBQNSAGJSACXSDS-UHFFFAOYSA-N
XLogP1.54
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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
(2S)-1-(6-nitroindazol-1-yl)propan-2-ol
CID 106932950
1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol
CID 63930886
1-(5-chloropentyl)-6-nitroindazole
CID 43348333
1-[2-(bromomethyl)pentyl]-6-nitroindazole
CID 65010798
1-butyl-6-nitroindazole
CID 155169975
1-[(4-tert-butylphenyl)methyl]-6-nitroindazole
CID 16796352
1-[(3,6-dichloro-2-pyridinyl)methyl]-6-nitroindazole
CID 62892546
2-[1-[(6-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide
CID 47060708
1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole
CID 79246153
1-chloro-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 112560108
5-[(6-nitroindazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397374

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol?
The IUPAC name of 1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol (CID 112560077) is 1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol?
The canonical SMILES for 1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol is O=[N+]([O-])c1ccc2cnn(CC(O)CCl)c2c1.
What is the InChIKey of 1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol?
The InChIKey is BQNSAGJSACXSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3/c11-4-9(15)6-13-10-3-8(14(16)17)2-1-7(10)5-12-13/h1-3,5,9,15H,4,6H2.
What are the key properties of 1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol?
1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol has a molecular weight of 255.66 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol is sourced from PubChem (CID 112560077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).