(6-fluoro-2-methyl-1,2-dihydropyridin-4-yl)methanamine

C7H11FN2 — CID 143799843

IUPAC(6-fluoro-2-methyl-1,2-dihydropyridin-4-yl)methanamine
SMILESCC1C=C(CN)C=C(F)N1
InChIInChI=1S/C7H11FN2/c1-5-2-6(4-9)3-7(8)10-5/h2-3,5,10H,4,9H2,1H3
InChIKeyOILUJRMJCUHCEJ-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.67
Rot. Bonds1

About (6-fluoro-2-methyl-1,2-dihydropyridin-4-yl)methanamine

(6-fluoro-2-methyl-1,2-dihydropyridin-4-yl)methanamine (PubChem CID 143799843) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is (6-fluoro-2-methyl-1,2-dihydropyridin-4-yl)methanamine.

Molecular Properties

Compound Name(6-fluoro-2-methyl-1,2-dihydropyridin-4-yl)methanamine
PubChem CID143799843
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name(6-fluoro-2-methyl-1,2-dihydropyridin-4-yl)methanamine
SMILESCC1C=C(CN)C=C(F)N1
InChIInChI=1S/C7H11FN2/c1-5-2-6(4-9)3-7(8)10-5/h2-3,5,10H,4,9H2,1H3
InChIKeyOILUJRMJCUHCEJ-UHFFFAOYSA-N
XLogP0.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-methyl-1,2-dihydropyridin-4-yl)methanamine?
The IUPAC name of (6-fluoro-2-methyl-1,2-dihydropyridin-4-yl)methanamine (CID 143799843) is (6-fluoro-2-methyl-1,2-dihydropyridin-4-yl)methanamine.
What is the SMILES notation for (6-fluoro-2-methyl-1,2-dihydropyridin-4-yl)methanamine?
The canonical SMILES for (6-fluoro-2-methyl-1,2-dihydropyridin-4-yl)methanamine is CC1C=C(CN)C=C(F)N1.
What is the InChIKey of (6-fluoro-2-methyl-1,2-dihydropyridin-4-yl)methanamine?
The InChIKey is OILUJRMJCUHCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-5-2-6(4-9)3-7(8)10-5/h2-3,5,10H,4,9H2,1H3.
What are the key properties of (6-fluoro-2-methyl-1,2-dihydropyridin-4-yl)methanamine?
(6-fluoro-2-methyl-1,2-dihydropyridin-4-yl)methanamine has a molecular weight of 142.18 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-methyl-1,2-dihydropyridin-4-yl)methanamine is sourced from PubChem (CID 143799843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).