4-(2-amino-5-fluoro-3-propan-2-ylphenyl)-2-methyl-1H-pyridine-2-carbonitrile

C16H18FN3 — CID 150715666

IUPAC4-(2-amino-5-fluoro-3-propan-2-ylphenyl)-2-methyl-1H-pyridine-2-carbonitrile
SMILESCC(C)c1cc(F)cc(C2=CC(C)(C#N)NC=C2)c1N
InChIInChI=1S/C16H18FN3/c1-10(2)13-6-12(17)7-14(15(13)19)11-4-5-20-16(3,8-11)9-18/h4-8,10,20H,19H2,1-3H3
InChIKeyJOUZTYHYJURHIP-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.31
Rot. Bonds2

About 4-(2-amino-5-fluoro-3-propan-2-ylphenyl)-2-methyl-1H-pyridine-2-carbonitrile

4-(2-amino-5-fluoro-3-propan-2-ylphenyl)-2-methyl-1H-pyridine-2-carbonitrile (PubChem CID 150715666) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-(2-amino-5-fluoro-3-propan-2-ylphenyl)-2-methyl-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-amino-5-fluoro-3-propan-2-ylphenyl)-2-methyl-1H-pyridine-2-carbonitrile
PubChem CID150715666
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name4-(2-amino-5-fluoro-3-propan-2-ylphenyl)-2-methyl-1H-pyridine-2-carbonitrile
SMILESCC(C)c1cc(F)cc(C2=CC(C)(C#N)NC=C2)c1N
InChIInChI=1S/C16H18FN3/c1-10(2)13-6-12(17)7-14(15(13)19)11-4-5-20-16(3,8-11)9-18/h4-8,10,20H,19H2,1-3H3
InChIKeyJOUZTYHYJURHIP-UHFFFAOYSA-N
XLogP3.31
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-fluoro-3-propan-2-ylphenyl)-2-methyl-1H-pyridine-2-carbonitrile?
The IUPAC name of 4-(2-amino-5-fluoro-3-propan-2-ylphenyl)-2-methyl-1H-pyridine-2-carbonitrile (CID 150715666) is 4-(2-amino-5-fluoro-3-propan-2-ylphenyl)-2-methyl-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 4-(2-amino-5-fluoro-3-propan-2-ylphenyl)-2-methyl-1H-pyridine-2-carbonitrile?
The canonical SMILES for 4-(2-amino-5-fluoro-3-propan-2-ylphenyl)-2-methyl-1H-pyridine-2-carbonitrile is CC(C)c1cc(F)cc(C2=CC(C)(C#N)NC=C2)c1N.
What is the InChIKey of 4-(2-amino-5-fluoro-3-propan-2-ylphenyl)-2-methyl-1H-pyridine-2-carbonitrile?
The InChIKey is JOUZTYHYJURHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-10(2)13-6-12(17)7-14(15(13)19)11-4-5-20-16(3,8-11)9-18/h4-8,10,20H,19H2,1-3H3.
What are the key properties of 4-(2-amino-5-fluoro-3-propan-2-ylphenyl)-2-methyl-1H-pyridine-2-carbonitrile?
4-(2-amino-5-fluoro-3-propan-2-ylphenyl)-2-methyl-1H-pyridine-2-carbonitrile has a molecular weight of 271.34 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-fluoro-3-propan-2-ylphenyl)-2-methyl-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 150715666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).