6-fluoro-3-methylquinoxaline-5-carbaldehyde

C10H7FN2O — CID 158030897

IUPAC6-fluoro-3-methylquinoxaline-5-carbaldehyde
SMILESCc1cnc2ccc(F)c(C=O)c2n1
InChIInChI=1S/C10H7FN2O/c1-6-4-12-9-3-2-8(11)7(5-14)10(9)13-6/h2-5H,1H3
InChIKeyIYADKLQGSQTZCC-UHFFFAOYSA-N
MW190.18 g/mol
LogP1.89
Rot. Bonds1

About 6-fluoro-3-methylquinoxaline-5-carbaldehyde

6-fluoro-3-methylquinoxaline-5-carbaldehyde (PubChem CID 158030897) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is 6-fluoro-3-methylquinoxaline-5-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-3-methylquinoxaline-5-carbaldehyde
PubChem CID158030897
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name6-fluoro-3-methylquinoxaline-5-carbaldehyde
SMILESCc1cnc2ccc(F)c(C=O)c2n1
InChIInChI=1S/C10H7FN2O/c1-6-4-12-9-3-2-8(11)7(5-14)10(9)13-6/h2-5H,1H3
InChIKeyIYADKLQGSQTZCC-UHFFFAOYSA-N
XLogP1.89
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

8-tert-butyl-7-fluoro-2-methylquinoxaline
CID 158332659
8-fluoro-2,6-dimethylquinoxaline
CID 123268515
2,6-difluoro-3-methylbenzaldehyde
CID 2774137
7-fluoro-2-methylquinoline-6-carbaldehyde
CID 166070024
8-tert-butyl-5-fluoro-2-methylquinoxaline
CID 158332658
2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethanol
CID 177226919
5,6,7,8-tetrafluoro-2-methylquinoxaline
CID 98040625
7-fluoro-8-methylquinoline-3-carbaldehyde
CID 130113789
3-methylquinoxaline-5-carboxamide
CID 58369280
6-bromo-5-fluoro-2-methylquinoxaline
CID 154727930
3,8-dimethyl(213C)imidazolo[4,5-f]quinoxalin-2-amine
CID 45038124
ethyl 3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoate
CID 66736918

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methylquinoxaline-5-carbaldehyde?
The IUPAC name of 6-fluoro-3-methylquinoxaline-5-carbaldehyde (CID 158030897) is 6-fluoro-3-methylquinoxaline-5-carbaldehyde.
What is the SMILES notation for 6-fluoro-3-methylquinoxaline-5-carbaldehyde?
The canonical SMILES for 6-fluoro-3-methylquinoxaline-5-carbaldehyde is Cc1cnc2ccc(F)c(C=O)c2n1.
What is the InChIKey of 6-fluoro-3-methylquinoxaline-5-carbaldehyde?
The InChIKey is IYADKLQGSQTZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O/c1-6-4-12-9-3-2-8(11)7(5-14)10(9)13-6/h2-5H,1H3.
What are the key properties of 6-fluoro-3-methylquinoxaline-5-carbaldehyde?
6-fluoro-3-methylquinoxaline-5-carbaldehyde has a molecular weight of 190.18 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methylquinoxaline-5-carbaldehyde is sourced from PubChem (CID 158030897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).