5-fluoro-2-methoxy-8-nitroquinoline

C10H7FN2O3 — CID 86241718

IUPAC5-fluoro-2-methoxy-8-nitroquinoline
SMILESCOc1ccc2c(F)ccc([N+](=O)[O-])c2n1
InChIInChI=1S/C10H7FN2O3/c1-16-9-5-2-6-7(11)3-4-8(13(14)15)10(6)12-9/h2-5H,1H3
InChIKeyKDKQTATZIHOKOH-UHFFFAOYSA-N
MW222.18 g/mol
LogP2.29
Rot. Bonds2

About 5-fluoro-2-methoxy-8-nitroquinoline

5-fluoro-2-methoxy-8-nitroquinoline (PubChem CID 86241718) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-8-nitroquinoline.

Molecular Properties

Compound Name5-fluoro-2-methoxy-8-nitroquinoline
PubChem CID86241718
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name5-fluoro-2-methoxy-8-nitroquinoline
SMILESCOc1ccc2c(F)ccc([N+](=O)[O-])c2n1
InChIInChI=1S/C10H7FN2O3/c1-16-9-5-2-6-7(11)3-4-8(13(14)15)10(6)12-9/h2-5H,1H3
InChIKeyKDKQTATZIHOKOH-UHFFFAOYSA-N
XLogP2.29
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 52.29
H-Bond Donors ≤ 50
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

CID 157299402
CID 157299402
6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine
CID 53407025
6-methoxy-3-nitro-2-propan-2-ylpyridine
CID 146296357
2-(difluoromethoxy)-6-methoxy-3-nitropyridine
CID 153376192
2,4-dimethoxy-5-methyl-8-nitroquinoline
CID 70164477
7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one
CID 156713395
6-methoxy-3-nitro-2-pyrrol-1-ylpyridine
CID 10560813
4-chloro-2-methoxy-5-methyl-8-nitroquinoline
CID 67077345
1-(6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethanamine
CID 174432384
4-fluoro-7-nitroquinolin-8-ol
CID 166150161
1-(6-methoxy-3-nitro-2-pyridinyl)pentan-2-one
CID 115323440
7-fluoro-2-methoxy-8-methylquinoline
CID 67547364

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-8-nitroquinoline?
The IUPAC name of 5-fluoro-2-methoxy-8-nitroquinoline (CID 86241718) is 5-fluoro-2-methoxy-8-nitroquinoline.
What is the SMILES notation for 5-fluoro-2-methoxy-8-nitroquinoline?
The canonical SMILES for 5-fluoro-2-methoxy-8-nitroquinoline is COc1ccc2c(F)ccc([N+](=O)[O-])c2n1.
What is the InChIKey of 5-fluoro-2-methoxy-8-nitroquinoline?
The InChIKey is KDKQTATZIHOKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c1-16-9-5-2-6-7(11)3-4-8(13(14)15)10(6)12-9/h2-5H,1H3.
What are the key properties of 5-fluoro-2-methoxy-8-nitroquinoline?
5-fluoro-2-methoxy-8-nitroquinoline has a molecular weight of 222.18 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-8-nitroquinoline is sourced from PubChem (CID 86241718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).