(5-fluoro-2-methoxy-1,2-dihydropyridin-3-yl)methanamine

C7H11FN2O — CID 143898439

IUPAC(5-fluoro-2-methoxy-1,2-dihydropyridin-3-yl)methanamine
SMILESCOC1NC=C(F)C=C1CN
InChIInChI=1S/C7H11FN2O/c1-11-7-5(3-9)2-6(8)4-10-7/h2,4,7,10H,3,9H2,1H3
InChIKeyJLBSJIWLABDOKT-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.26
Rot. Bonds2

About (5-fluoro-2-methoxy-1,2-dihydropyridin-3-yl)methanamine

(5-fluoro-2-methoxy-1,2-dihydropyridin-3-yl)methanamine (PubChem CID 143898439) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is (5-fluoro-2-methoxy-1,2-dihydropyridin-3-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-methoxy-1,2-dihydropyridin-3-yl)methanamine
PubChem CID143898439
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name(5-fluoro-2-methoxy-1,2-dihydropyridin-3-yl)methanamine
SMILESCOC1NC=C(F)C=C1CN
InChIInChI=1S/C7H11FN2O/c1-11-7-5(3-9)2-6(8)4-10-7/h2,4,7,10H,3,9H2,1H3
InChIKeyJLBSJIWLABDOKT-UHFFFAOYSA-N
XLogP0.26
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Fluoro-2-methoxy-5-methyl-1,2-dihydropyridine
CID 122692047
(3E)-3-fluoro-N-[(5-fluoro-2-methoxy-1,2-dihydropyridin-3-yl)methyl]penta-1,3-dien-2-amine
CID 144183676
2-Methoxy-3-(trifluoromethyl)-1,2-dihydropyridine
CID 175996814
1-(2-methoxy-1,2-dihydropyridin-3-yl)-N-methylmethanamine
CID 139419462
3-(Methoxymethyl)-1,2-dihydropyridine
CID 141952580
1-(2-methoxy-1-methyl-2H-pyridin-3-yl)-N-methylmethanamine
CID 144821823
2-Methoxy-3-methyl-1,2-dihydropyridine
CID 147499292
3-(Methoxymethyl)-1,2-dihydropyridin-2-amine
CID 173058151

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxy-1,2-dihydropyridin-3-yl)methanamine?
The IUPAC name of (5-fluoro-2-methoxy-1,2-dihydropyridin-3-yl)methanamine (CID 143898439) is (5-fluoro-2-methoxy-1,2-dihydropyridin-3-yl)methanamine.
What is the SMILES notation for (5-fluoro-2-methoxy-1,2-dihydropyridin-3-yl)methanamine?
The canonical SMILES for (5-fluoro-2-methoxy-1,2-dihydropyridin-3-yl)methanamine is COC1NC=C(F)C=C1CN.
What is the InChIKey of (5-fluoro-2-methoxy-1,2-dihydropyridin-3-yl)methanamine?
The InChIKey is JLBSJIWLABDOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-11-7-5(3-9)2-6(8)4-10-7/h2,4,7,10H,3,9H2,1H3.
What are the key properties of (5-fluoro-2-methoxy-1,2-dihydropyridin-3-yl)methanamine?
(5-fluoro-2-methoxy-1,2-dihydropyridin-3-yl)methanamine has a molecular weight of 158.18 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxy-1,2-dihydropyridin-3-yl)methanamine is sourced from PubChem (CID 143898439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).