(8-nitroquinolin-5-yl) carbonochloridate

C10H5ClN2O4 — CID 116525781

IUPAC(8-nitroquinolin-5-yl) carbonochloridate
SMILESO=C(Cl)Oc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C10H5ClN2O4/c11-10(14)17-8-4-3-7(13(15)16)9-6(8)2-1-5-12-9/h1-5H
InChIKeyWCMXFHCMXLLREC-UHFFFAOYSA-N
MW252.61 g/mol
LogP2.88
Rot. Bonds2

About (8-nitroquinolin-5-yl) carbonochloridate

(8-nitroquinolin-5-yl) carbonochloridate (PubChem CID 116525781) has the molecular formula C10H5ClN2O4 and a molecular weight of 252.61 g/mol. Its IUPAC name is (8-nitroquinolin-5-yl) carbonochloridate.

Molecular Properties

Compound Name(8-nitroquinolin-5-yl) carbonochloridate
PubChem CID116525781
Molecular FormulaC10H5ClN2O4
Molecular Weight252.61 g/mol
Exact Mass251.99
IUPAC Name(8-nitroquinolin-5-yl) carbonochloridate
SMILESO=C(Cl)Oc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C10H5ClN2O4/c11-10(14)17-8-4-3-7(13(15)16)9-6(8)2-1-5-12-9/h1-5H
InChIKeyWCMXFHCMXLLREC-UHFFFAOYSA-N
XLogP2.88
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.61
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_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

trifluoro-[(8-nitroquinolin-5-yl)oxymethyl]boranuide
CID 116525706
2,2-dimethyl-3-(8-nitroquinolin-5-yl)oxypropanoic acid
CID 116524918
methyl 2-(8-nitroquinolin-5-yl)oxypropanoate
CID 116524927
3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol
CID 116525665
3-(8-nitroquinolin-5-yl)oxypropanehydrazide
CID 116525701
4-(8-nitroquinolin-5-yl)oxyaniline
CID 8002854
2-(8-nitroquinolin-5-yl)oxyaniline
CID 61027570
(5-nitroquinolin-8-yl) 2-methylprop-2-enoate
CID 19748562
5-(8-nitroquinolin-5-yl)oxypyrazin-2-amine
CID 116525775
5-nitroquinoline-8-carboxylic acid
CID 15405331
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
5-(3-bromo-2-methoxycyclobutyl)oxy-8-nitroquinoline
CID 116525723

Frequently Asked Questions

What is the IUPAC name of (8-nitroquinolin-5-yl) carbonochloridate?
The IUPAC name of (8-nitroquinolin-5-yl) carbonochloridate (CID 116525781) is (8-nitroquinolin-5-yl) carbonochloridate.
What is the SMILES notation for (8-nitroquinolin-5-yl) carbonochloridate?
The canonical SMILES for (8-nitroquinolin-5-yl) carbonochloridate is O=C(Cl)Oc1ccc([N+](=O)[O-])c2ncccc12.
What is the InChIKey of (8-nitroquinolin-5-yl) carbonochloridate?
The InChIKey is WCMXFHCMXLLREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O4/c11-10(14)17-8-4-3-7(13(15)16)9-6(8)2-1-5-12-9/h1-5H.
What are the key properties of (8-nitroquinolin-5-yl) carbonochloridate?
(8-nitroquinolin-5-yl) carbonochloridate has a molecular weight of 252.61 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-nitroquinolin-5-yl) carbonochloridate is sourced from PubChem (CID 116525781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).