N-(4-fluorophenyl)-2-(2-phenylethynyl)pyridin-3-amine

C19H13FN2 — CID 135063161

IUPACN-(4-fluorophenyl)-2-(2-phenylethynyl)pyridin-3-amine
SMILESFc1ccc(Nc2cccnc2C#Cc2ccccc2)cc1
InChIInChI=1S/C19H13FN2/c20-16-9-11-17(12-10-16)22-19-7-4-14-21-18(19)13-8-15-5-2-1-3-6-15/h1-7,9-12,14,22H
InChIKeyCMJZDWYNNQGEFU-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.36
Rot. Bonds2

About N-(4-fluorophenyl)-2-(2-phenylethynyl)pyridin-3-amine

N-(4-fluorophenyl)-2-(2-phenylethynyl)pyridin-3-amine (PubChem CID 135063161) has the molecular formula C19H13FN2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2-phenylethynyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2-phenylethynyl)pyridin-3-amine
PubChem CID135063161
Molecular FormulaC19H13FN2
Molecular Weight288.32 g/mol
Exact Mass288.11
IUPAC NameN-(4-fluorophenyl)-2-(2-phenylethynyl)pyridin-3-amine
SMILESFc1ccc(Nc2cccnc2C#Cc2ccccc2)cc1
InChIInChI=1S/C19H13FN2/c20-16-9-11-17(12-10-16)22-19-7-4-14-21-18(19)13-8-15-5-2-1-3-6-15/h1-7,9-12,14,22H
InChIKeyCMJZDWYNNQGEFU-UHFFFAOYSA-N
XLogP4.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Adx 10059
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BC-1215
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3-(2-Quinoxalinyl)aniline
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4-(Pyridin-2-yl)aniline
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4-(Quinoxalin-2-yl)aniline
CID 761862
2-Phenylpyridin-4-amine
CID 2762833
N-(4-Fluorophenyl)-3-pyridinemethanamine
CID 645683
2,5-Diphenylpyrazine
CID 220958
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CID 44414862
4,6-Dimethylpyridin-3-amine
CID 7060669

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2-phenylethynyl)pyridin-3-amine?
The IUPAC name of N-(4-fluorophenyl)-2-(2-phenylethynyl)pyridin-3-amine (CID 135063161) is N-(4-fluorophenyl)-2-(2-phenylethynyl)pyridin-3-amine.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2-phenylethynyl)pyridin-3-amine?
The canonical SMILES for N-(4-fluorophenyl)-2-(2-phenylethynyl)pyridin-3-amine is Fc1ccc(Nc2cccnc2C#Cc2ccccc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(2-phenylethynyl)pyridin-3-amine?
The InChIKey is CMJZDWYNNQGEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2/c20-16-9-11-17(12-10-16)22-19-7-4-14-21-18(19)13-8-15-5-2-1-3-6-15/h1-7,9-12,14,22H.
What are the key properties of N-(4-fluorophenyl)-2-(2-phenylethynyl)pyridin-3-amine?
N-(4-fluorophenyl)-2-(2-phenylethynyl)pyridin-3-amine has a molecular weight of 288.32 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2-phenylethynyl)pyridin-3-amine is sourced from PubChem (CID 135063161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).