6-amino-2-(5-bromo-2-fluorophenyl)-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile;fluoromethane

C14H16BrF2N3 — CID 145279658

IUPAC6-amino-2-(5-bromo-2-fluorophenyl)-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile;fluoromethane
SMILESCC1(C#N)CCC(c2cc(Br)ccc2F)N=C1N.CF
InChIInChI=1S/C13H13BrFN3.CH3F/c1-13(7-16)5-4-11(18-12(13)17)9-6-8(14)2-3-10(9)15;1-2/h2-3,6,11H,4-5H2,1H3,(H2,17,18);1H3
InChIKeyWCNGBFNSWZQRRX-UHFFFAOYSA-N
MW344.20 g/mol
LogP3.90
Rot. Bonds1

About 6-amino-2-(5-bromo-2-fluorophenyl)-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile;fluoromethane

6-amino-2-(5-bromo-2-fluorophenyl)-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile;fluoromethane (PubChem CID 145279658) has the molecular formula C14H16BrF2N3 and a molecular weight of 344.20 g/mol. Its IUPAC name is 6-amino-2-(5-bromo-2-fluorophenyl)-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile;fluoromethane.

Molecular Properties

Compound Name6-amino-2-(5-bromo-2-fluorophenyl)-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile;fluoromethane
PubChem CID145279658
Molecular FormulaC14H16BrF2N3
Molecular Weight344.20 g/mol
Exact Mass343.05
IUPAC Name6-amino-2-(5-bromo-2-fluorophenyl)-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile;fluoromethane
SMILESCC1(C#N)CCC(c2cc(Br)ccc2F)N=C1N.CF
InChIInChI=1S/C13H13BrFN3.CH3F/c1-13(7-16)5-4-11(18-12(13)17)9-6-8(14)2-3-10(9)15;1-2/h2-3,6,11H,4-5H2,1H3,(H2,17,18);1H3
InChIKeyWCNGBFNSWZQRRX-UHFFFAOYSA-N
XLogP3.90
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5S)-6-amino-2-(5-bromo-2-fluorophenyl)-2,5-dimethyl-3,4-dihydropyridine-5-carbonitrile
CID 126733689
7-(5-bromo-2-fluorophenyl)-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-amine
CID 142379424
6-amino-2-(5-amino-2-fluorophenyl)-3-fluoro-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile
CID 126733744
8-(5-bromo-2-fluorophenyl)-9-methyl-5-oxa-7-azaspiro[3.5]non-6-en-6-amine
CID 123724184
[2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine
CID 81011493
2-(5-bromo-2-fluorophenyl)cyclobutan-1-amine
CID 81014478
(8S,8aS)-6-amino-8-(5-bromo-2-fluorophenyl)-1,3,8,8a-tetrahydroisothiochromene-5,5,7-tricarbonitrile
CID 1005872
1-(4-bromo-2-fluorophenyl)cyclopropane-1-carbonitrile
CID 58762329
[(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanamine
CID 94556792
(8S,8aS)-6-amino-8-(5-bromo-2-fluorophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
CID 1266387
5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
CID 79510435
5-(5-bromo-2-fluorophenyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine
CID 142379200

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(5-bromo-2-fluorophenyl)-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile;fluoromethane?
The IUPAC name of 6-amino-2-(5-bromo-2-fluorophenyl)-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile;fluoromethane (CID 145279658) is 6-amino-2-(5-bromo-2-fluorophenyl)-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile;fluoromethane.
What is the SMILES notation for 6-amino-2-(5-bromo-2-fluorophenyl)-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile;fluoromethane?
The canonical SMILES for 6-amino-2-(5-bromo-2-fluorophenyl)-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile;fluoromethane is CC1(C#N)CCC(c2cc(Br)ccc2F)N=C1N.CF.
What is the InChIKey of 6-amino-2-(5-bromo-2-fluorophenyl)-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile;fluoromethane?
The InChIKey is WCNGBFNSWZQRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3.CH3F/c1-13(7-16)5-4-11(18-12(13)17)9-6-8(14)2-3-10(9)15;1-2/h2-3,6,11H,4-5H2,1H3,(H2,17,18);1H3.
What are the key properties of 6-amino-2-(5-bromo-2-fluorophenyl)-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile;fluoromethane?
6-amino-2-(5-bromo-2-fluorophenyl)-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile;fluoromethane has a molecular weight of 344.20 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(5-bromo-2-fluorophenyl)-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile;fluoromethane is sourced from PubChem (CID 145279658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).