3-fluoro-5-methylquinolin-6-amine

C10H9FN2 — CID 166948139

IUPAC3-fluoro-5-methylquinolin-6-amine
SMILESCc1c(N)ccc2ncc(F)cc12
InChIInChI=1S/C10H9FN2/c1-6-8-4-7(11)5-13-10(8)3-2-9(6)12/h2-5H,12H2,1H3
InChIKeyPNIDZWHCQWRECD-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.26
Rot. Bonds

About 3-fluoro-5-methylquinolin-6-amine

3-fluoro-5-methylquinolin-6-amine (PubChem CID 166948139) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 3-fluoro-5-methylquinolin-6-amine.

Molecular Properties

Compound Name3-fluoro-5-methylquinolin-6-amine
PubChem CID166948139
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name3-fluoro-5-methylquinolin-6-amine
SMILESCc1c(N)ccc2ncc(F)cc12
InChIInChI=1S/C10H9FN2/c1-6-8-4-7(11)5-13-10(8)3-2-9(6)12/h2-5H,12H2,1H3
InChIKeyPNIDZWHCQWRECD-UHFFFAOYSA-N
XLogP2.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methylquinolin-6-amine?
The IUPAC name of 3-fluoro-5-methylquinolin-6-amine (CID 166948139) is 3-fluoro-5-methylquinolin-6-amine.
What is the SMILES notation for 3-fluoro-5-methylquinolin-6-amine?
The canonical SMILES for 3-fluoro-5-methylquinolin-6-amine is Cc1c(N)ccc2ncc(F)cc12.
What is the InChIKey of 3-fluoro-5-methylquinolin-6-amine?
The InChIKey is PNIDZWHCQWRECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c1-6-8-4-7(11)5-13-10(8)3-2-9(6)12/h2-5H,12H2,1H3.
What are the key properties of 3-fluoro-5-methylquinolin-6-amine?
3-fluoro-5-methylquinolin-6-amine has a molecular weight of 176.19 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methylquinolin-6-amine is sourced from PubChem (CID 166948139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).