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

C13H14F2N4 — CID 126733744

IUPAC6-amino-2-(5-amino-2-fluorophenyl)-3-fluoro-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile
SMILESCC1(C#N)CC(F)C(c2cc(N)ccc2F)N=C1N
InChIInChI=1S/C13H14F2N4/c1-13(6-16)5-10(15)11(19-12(13)18)8-4-7(17)2-3-9(8)14/h2-4,10-11H,5,17H2,1H3,(H2,18,19)
InChIKeyNQBQQECBJNPVJH-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.08
Rot. Bonds1

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

6-amino-2-(5-amino-2-fluorophenyl)-3-fluoro-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile (PubChem CID 126733744) has the molecular formula C13H14F2N4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 6-amino-2-(5-amino-2-fluorophenyl)-3-fluoro-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-2-(5-amino-2-fluorophenyl)-3-fluoro-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile
PubChem CID126733744
Molecular FormulaC13H14F2N4
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name6-amino-2-(5-amino-2-fluorophenyl)-3-fluoro-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile
SMILESCC1(C#N)CC(F)C(c2cc(N)ccc2F)N=C1N
InChIInChI=1S/C13H14F2N4/c1-13(6-16)5-10(15)11(19-12(13)18)8-4-7(17)2-3-9(8)14/h2-4,10-11H,5,17H2,1H3,(H2,18,19)
InChIKeyNQBQQECBJNPVJH-UHFFFAOYSA-N
XLogP2.08
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-2-(5-bromo-2-fluorophenyl)-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile;fluoromethane
CID 145279658
(4aS,7aS)-2-amino-7a-(5-amino-2-fluorophenyl)-5-(1,1-difluoroethyl)-3-methyl-4,4a,5,7-tetrahydrofuro[3,4-b]pyridine-3-carbonitrile
CID 146414753
(4aS)-2-amino-7a-(5-amino-2-fluorophenyl)-5-(2-fluoropropan-2-yl)-3-methyl-4,4a,5,7-tetrahydrofuro[3,4-b]pyridine-3-carbonitrile
CID 142342137
N-[3-[(5S)-6-amino-5-cyano-3,5-dimethyl-3,4-dihydro-2H-pyridin-2-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 145279664
(3S,4aS,5S,7aS)-2-amino-7a-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-3-methyl-4,4a,5,7-tetrahydrofuro[3,4-b]pyridine-3-carbonitrile
CID 142342080
3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane
CID 144606503
acetonitrile;2-[3-(3-amino-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl]ethynyl thiohypoiodite;fluoromethane
CID 142379222
(2S,5S)-6-amino-2-(5-bromo-2-fluorophenyl)-2,5-dimethyl-3,4-dihydropyridine-5-carbonitrile
CID 126733689
(3R,4aS,5S,7aS)-2-amino-5-(fluoromethyl)-7a-(2-fluoro-5-nitrophenyl)-3-methyl-4,4a,5,7-tetrahydrofuro[3,4-b]pyridine-3-carbonitrile
CID 142342127
[(4aR,6R,7aS)-7a-(5-amino-2-fluorophenyl)-6-fluoro-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-2-yl]-tert-butylcarbamic acid
CID 67279726
4-fluoro-3-(2,4,5-trimethyl-1,3-dioxolan-2-yl)aniline
CID 14708881
(5S)-5-(5-amino-2-fluorophenyl)-2,5,6,7-tetrahydro-1,4-oxazepin-3-amine
CID 163838579

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(5-amino-2-fluorophenyl)-3-fluoro-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile?
The IUPAC name of 6-amino-2-(5-amino-2-fluorophenyl)-3-fluoro-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile (CID 126733744) is 6-amino-2-(5-amino-2-fluorophenyl)-3-fluoro-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile.
What is the SMILES notation for 6-amino-2-(5-amino-2-fluorophenyl)-3-fluoro-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile?
The canonical SMILES for 6-amino-2-(5-amino-2-fluorophenyl)-3-fluoro-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile is CC1(C#N)CC(F)C(c2cc(N)ccc2F)N=C1N.
What is the InChIKey of 6-amino-2-(5-amino-2-fluorophenyl)-3-fluoro-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile?
The InChIKey is NQBQQECBJNPVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4/c1-13(6-16)5-10(15)11(19-12(13)18)8-4-7(17)2-3-9(8)14/h2-4,10-11H,5,17H2,1H3,(H2,18,19).
What are the key properties of 6-amino-2-(5-amino-2-fluorophenyl)-3-fluoro-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile?
6-amino-2-(5-amino-2-fluorophenyl)-3-fluoro-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile has a molecular weight of 264.28 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(5-amino-2-fluorophenyl)-3-fluoro-5-methyl-3,4-dihydro-2H-pyridine-5-carbonitrile is sourced from PubChem (CID 126733744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).