6-fluoro-4-methoxycinnoline

C9H7FN2O — CID 135395881

IUPAC6-fluoro-4-methoxycinnoline
SMILESCOc1cnnc2ccc(F)cc12
InChIInChI=1S/C9H7FN2O/c1-13-9-5-11-12-8-3-2-6(10)4-7(8)9/h2-5H,1H3
InChIKeyMFMPPCYZISVLQI-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.78
Rot. Bonds1

About 6-fluoro-4-methoxycinnoline

6-fluoro-4-methoxycinnoline (PubChem CID 135395881) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 6-fluoro-4-methoxycinnoline.

Molecular Properties

Compound Name6-fluoro-4-methoxycinnoline
PubChem CID135395881
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name6-fluoro-4-methoxycinnoline
SMILESCOc1cnnc2ccc(F)cc12
InChIInChI=1S/C9H7FN2O/c1-13-9-5-11-12-8-3-2-6(10)4-7(8)9/h2-5H,1H3
InChIKeyMFMPPCYZISVLQI-UHFFFAOYSA-N
XLogP1.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethoxycinnoline
CID 134989956
5-(5-fluoro-2-methoxyphenyl)-1,2,4-triazin-3-amine
CID 82392808
6-fluoro-4-[(E)-2-(3-fluorophenyl)ethenyl]cinnoline
CID 6414924
(5-fluoro-2-methoxyphenyl)borane
CID 3475822
4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
CID 89353221
CID 89353221
4-chloro-6-fluoro-2-(2-methoxyphenyl)quinazoline
CID 58683904
7-fluoro-N-(4-methoxyphenyl)-N-methylphthalazin-1-amine
CID 59242088
1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-8-fluoropyrazolo[4,3-c]quinoline
CID 20852858
2-(5-fluoro-2-methoxyphenyl)guanidine
CID 82490728
(5-fluoro-2-methoxyphenyl)methanethiol
CID 24688819

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methoxycinnoline?
The IUPAC name of 6-fluoro-4-methoxycinnoline (CID 135395881) is 6-fluoro-4-methoxycinnoline.
What is the SMILES notation for 6-fluoro-4-methoxycinnoline?
The canonical SMILES for 6-fluoro-4-methoxycinnoline is COc1cnnc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-4-methoxycinnoline?
The InChIKey is MFMPPCYZISVLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c1-13-9-5-11-12-8-3-2-6(10)4-7(8)9/h2-5H,1H3.
What are the key properties of 6-fluoro-4-methoxycinnoline?
6-fluoro-4-methoxycinnoline has a molecular weight of 178.17 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methoxycinnoline is sourced from PubChem (CID 135395881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).