(3-fluoro-2,3-dihydropyridin-6-yl)methanamine

C6H9FN2 — CID 91464248

IUPAC(3-fluoro-2,3-dihydropyridin-6-yl)methanamine
SMILESNCC1=NCC(F)C=C1
InChIInChI=1S/C6H9FN2/c7-5-1-2-6(3-8)9-4-5/h1-2,5H,3-4,8H2
InChIKeyWFHKQIZMZAADFJ-UHFFFAOYSA-N
MW128.15 g/mol
LogP0.29
Rot. Bonds1

About (3-fluoro-2,3-dihydropyridin-6-yl)methanamine

(3-fluoro-2,3-dihydropyridin-6-yl)methanamine (PubChem CID 91464248) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is (3-fluoro-2,3-dihydropyridin-6-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-2,3-dihydropyridin-6-yl)methanamine
PubChem CID91464248
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name(3-fluoro-2,3-dihydropyridin-6-yl)methanamine
SMILESNCC1=NCC(F)C=C1
InChIInChI=1S/C6H9FN2/c7-5-1-2-6(3-8)9-4-5/h1-2,5H,3-4,8H2
InChIKeyWFHKQIZMZAADFJ-UHFFFAOYSA-N
XLogP0.29
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(chloromethyl)-3-methyl-2,3-dihydropyridine
CID 91208172
6-benzyl-2,3-dihydropyridin-3-ol
CID 150749488
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CID 118312270
(5-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methanamine
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9aH-benzo[7]annulen-5-ylmethanamine
CID 88809253
(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methanamine
CID 13136452
5-fluoro-2-(3-methylbutyl)cyclohexa-1,3-diene
CID 20781079
(3-fluoro-2,3-dihydro-1H-inden-5-yl)methanamine
CID 83853754
[(1R)-2-fluoro-1-phenylcyclopropyl]methanamine
CID 126843009
6-(aminomethyl)-N,N-dimethylpyridin-2-amine
CID 62300498
[3-fluoro-5-[2-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2-pyridinyl]methanamine
CID 173000596
[2-(2,2-difluorocyclobutyl)phenyl]methanamine
CID 115020974

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2,3-dihydropyridin-6-yl)methanamine?
The IUPAC name of (3-fluoro-2,3-dihydropyridin-6-yl)methanamine (CID 91464248) is (3-fluoro-2,3-dihydropyridin-6-yl)methanamine.
What is the SMILES notation for (3-fluoro-2,3-dihydropyridin-6-yl)methanamine?
The canonical SMILES for (3-fluoro-2,3-dihydropyridin-6-yl)methanamine is NCC1=NCC(F)C=C1.
What is the InChIKey of (3-fluoro-2,3-dihydropyridin-6-yl)methanamine?
The InChIKey is WFHKQIZMZAADFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c7-5-1-2-6(3-8)9-4-5/h1-2,5H,3-4,8H2.
What are the key properties of (3-fluoro-2,3-dihydropyridin-6-yl)methanamine?
(3-fluoro-2,3-dihydropyridin-6-yl)methanamine has a molecular weight of 128.15 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2,3-dihydropyridin-6-yl)methanamine is sourced from PubChem (CID 91464248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).