5-chloro-2-deuterio-7-nitroquinolin-8-ol

C9H5ClN2O3 — CID 170982612

IUPAC5-chloro-2-deuterio-7-nitroquinolin-8-ol
SMILES[2H]c1ccc2c(Cl)cc([N+](=O)[O-])c(O)c2n1
InChIInChI=1S/C9H5ClN2O3/c10-6-4-7(12(14)15)9(13)8-5(6)2-1-3-11-8/h1-4,13H/i3D
InChIKeyYMZCBKSIFLQQEM-WFVSFCRTSA-N
MW225.61 g/mol
LogP2.50
Rot. Bonds1

About 5-chloro-2-deuterio-7-nitroquinolin-8-ol

5-chloro-2-deuterio-7-nitroquinolin-8-ol (PubChem CID 170982612) has the molecular formula C9H5ClN2O3 and a molecular weight of 225.61 g/mol. Its IUPAC name is 5-chloro-2-deuterio-7-nitroquinolin-8-ol.

Molecular Properties

Compound Name5-chloro-2-deuterio-7-nitroquinolin-8-ol
PubChem CID170982612
Molecular FormulaC9H5ClN2O3
Molecular Weight225.61 g/mol
Exact Mass225.01
IUPAC Name5-chloro-2-deuterio-7-nitroquinolin-8-ol
SMILES[2H]c1ccc2c(Cl)cc([N+](=O)[O-])c(O)c2n1
InChIInChI=1S/C9H5ClN2O3/c10-6-4-7(12(14)15)9(13)8-5(6)2-1-3-11-8/h1-4,13H/i3D
InChIKeyYMZCBKSIFLQQEM-WFVSFCRTSA-N
XLogP2.50
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.61
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-deuterio-7-nitroquinolin-8-ol
CID 170982608
5-(difluoromethyl)-7-nitroquinolin-8-ol
CID 171471368
4-chloro-2,3-dimethyl-6-nitrophenol
CID 23238949
7-bromo-5-nitroquinolin-8-ol
CID 14125599
4-chloro-7-nitro-3-phenylquinolin-8-ol
CID 166150290
2-(7-chloro-5-nitroquinolin-8-yl)oxy-N'-hydroxyethanimidamide
CID 127261064
1,2-dichloro-4-nitronaphthalene
CID 154116604
5-chloro-4-(4-methylsulfonylpiperazin-1-yl)-7-nitroquinolin-8-ol
CID 166150244
7-nitro-5-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol
CID 4142078
3,4-dichloro-8-nitroquinoline
CID 19592722
4-fluoro-7-nitroquinolin-8-ol
CID 166150161
4-bromo-2-nitronaphthalen-1-ol
CID 11572534

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-deuterio-7-nitroquinolin-8-ol?
The IUPAC name of 5-chloro-2-deuterio-7-nitroquinolin-8-ol (CID 170982612) is 5-chloro-2-deuterio-7-nitroquinolin-8-ol.
What is the SMILES notation for 5-chloro-2-deuterio-7-nitroquinolin-8-ol?
The canonical SMILES for 5-chloro-2-deuterio-7-nitroquinolin-8-ol is [2H]c1ccc2c(Cl)cc([N+](=O)[O-])c(O)c2n1.
What is the InChIKey of 5-chloro-2-deuterio-7-nitroquinolin-8-ol?
The InChIKey is YMZCBKSIFLQQEM-WFVSFCRTSA-N. The full InChI is InChI=1S/C9H5ClN2O3/c10-6-4-7(12(14)15)9(13)8-5(6)2-1-3-11-8/h1-4,13H/i3D.
What are the key properties of 5-chloro-2-deuterio-7-nitroquinolin-8-ol?
5-chloro-2-deuterio-7-nitroquinolin-8-ol has a molecular weight of 225.61 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-deuterio-7-nitroquinolin-8-ol is sourced from PubChem (CID 170982612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).