2-fluoro-N,N-dimethyl-1,2-dihydropyridin-3-amine

C7H11FN2 — CID 173102336

IUPAC2-fluoro-N,N-dimethyl-1,2-dihydropyridin-3-amine
SMILESCN(C)C1=CC=CNC1F
InChIInChI=1S/C7H11FN2/c1-10(2)6-4-3-5-9-7(6)8/h3-5,7,9H,1-2H3
InChIKeyWJWOJCCKBCXOPT-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.84
Rot. Bonds1

About 2-fluoro-N,N-dimethyl-1,2-dihydropyridin-3-amine

2-fluoro-N,N-dimethyl-1,2-dihydropyridin-3-amine (PubChem CID 173102336) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-1,2-dihydropyridin-3-amine.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-1,2-dihydropyridin-3-amine
PubChem CID173102336
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name2-fluoro-N,N-dimethyl-1,2-dihydropyridin-3-amine
SMILESCN(C)C1=CC=CNC1F
InChIInChI=1S/C7H11FN2/c1-10(2)6-4-3-5-9-7(6)8/h3-5,7,9H,1-2H3
InChIKeyWJWOJCCKBCXOPT-UHFFFAOYSA-N
XLogP0.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dihydro 4-dimethylamino pyridine
CID 424917
3-Amino-dihydropyridine
CID 5245632
Diaminodihydropyridine
CID 148062134
2-Fluoro-1,2-dihydropyridin-4-amine
CID 89060898
(1Z,3Z)-4-fluoro-1-N,3-N,3-N-trimethylhexa-1,3,5-triene-1,3-diamine
CID 126490173
(3E,5E)-5-fluoro-2-N-methylhepta-1,3,5-triene-2,3-diamine
CID 126734944
N,1-dimethyl-6-(trifluoromethyl)-2H-pyridin-3-amine
CID 132064716
(2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine
CID 137466729
5-Fluoro-1,2-dihydropyridin-3-amine
CID 139425674
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine
CID 142067409
N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine
CID 143191827
N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 143846292

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-1,2-dihydropyridin-3-amine?
The IUPAC name of 2-fluoro-N,N-dimethyl-1,2-dihydropyridin-3-amine (CID 173102336) is 2-fluoro-N,N-dimethyl-1,2-dihydropyridin-3-amine.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-1,2-dihydropyridin-3-amine?
The canonical SMILES for 2-fluoro-N,N-dimethyl-1,2-dihydropyridin-3-amine is CN(C)C1=CC=CNC1F.
What is the InChIKey of 2-fluoro-N,N-dimethyl-1,2-dihydropyridin-3-amine?
The InChIKey is WJWOJCCKBCXOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-10(2)6-4-3-5-9-7(6)8/h3-5,7,9H,1-2H3.
What are the key properties of 2-fluoro-N,N-dimethyl-1,2-dihydropyridin-3-amine?
2-fluoro-N,N-dimethyl-1,2-dihydropyridin-3-amine has a molecular weight of 142.18 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethyl-1,2-dihydropyridin-3-amine is sourced from PubChem (CID 173102336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).