2-fluoro-3-methylquinolin-4-amine

C10H9FN2 — CID 141294686

IUPAC2-fluoro-3-methylquinolin-4-amine
SMILESCc1c(F)nc2ccccc2c1N
InChIInChI=1S/C10H9FN2/c1-6-9(12)7-4-2-3-5-8(7)13-10(6)11/h2-5H,1H3,(H2,12,13)
InChIKeyABPVSSJRRGIOOX-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.26
Rot. Bonds

About 2-fluoro-3-methylquinolin-4-amine

2-fluoro-3-methylquinolin-4-amine (PubChem CID 141294686) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 2-fluoro-3-methylquinolin-4-amine.

Molecular Properties

Compound Name2-fluoro-3-methylquinolin-4-amine
PubChem CID141294686
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name2-fluoro-3-methylquinolin-4-amine
SMILESCc1c(F)nc2ccccc2c1N
InChIInChI=1S/C10H9FN2/c1-6-9(12)7-4-2-3-5-8(7)13-10(6)11/h2-5H,1H3,(H2,12,13)
InChIKeyABPVSSJRRGIOOX-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': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methylquinolin-4-amine?
The IUPAC name of 2-fluoro-3-methylquinolin-4-amine (CID 141294686) is 2-fluoro-3-methylquinolin-4-amine.
What is the SMILES notation for 2-fluoro-3-methylquinolin-4-amine?
The canonical SMILES for 2-fluoro-3-methylquinolin-4-amine is Cc1c(F)nc2ccccc2c1N.
What is the InChIKey of 2-fluoro-3-methylquinolin-4-amine?
The InChIKey is ABPVSSJRRGIOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c1-6-9(12)7-4-2-3-5-8(7)13-10(6)11/h2-5H,1H3,(H2,12,13).
What are the key properties of 2-fluoro-3-methylquinolin-4-amine?
2-fluoro-3-methylquinolin-4-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 2-fluoro-3-methylquinolin-4-amine is sourced from PubChem (CID 141294686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).