2,4-dipyridin-3-ylaniline

C16H13N3 — CID 46316358

IUPAC2,4-dipyridin-3-ylaniline
SMILESNc1ccc(-c2cccnc2)cc1-c1cccnc1
InChIInChI=1S/C16H13N3/c17-16-6-5-12(13-3-1-7-18-10-13)9-15(16)14-4-2-8-19-11-14/h1-11H,17H2
InChIKeyFGOKHBOSUAKYBU-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.39
Rot. Bonds2

About 2,4-dipyridin-3-ylaniline

2,4-dipyridin-3-ylaniline (PubChem CID 46316358) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2,4-dipyridin-3-ylaniline.

Molecular Properties

Compound Name2,4-dipyridin-3-ylaniline
PubChem CID46316358
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name2,4-dipyridin-3-ylaniline
SMILESNc1ccc(-c2cccnc2)cc1-c1cccnc1
InChIInChI=1S/C16H13N3/c17-16-6-5-12(13-3-1-7-18-10-13)9-15(16)14-4-2-8-19-11-14/h1-11H,17H2
InChIKeyFGOKHBOSUAKYBU-UHFFFAOYSA-N
XLogP3.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-pyridin-3-ylaniline
CID 71445761
3-[2-(chloromethyl)-5-pyridin-3-ylphenyl]pyridine
CID 46316469
4-piperidin-1-yl-2-pyridin-3-ylaniline
CID 171118345
3-pyridin-3-ylaniline;dihydrochloride
CID 21146183
3-azulen-6-ylpyridine
CID 86232079
4-pyridin-3-ylaniline;dihydrochloride
CID 154574926
3-(2-amino-5-pyridin-3-ylanilino)propan-1-ol
CID 163261663
4-chloro-3-(9,9-dimethyl-6-pyridin-3-ylfluoren-3-yl)pyridine
CID 169262127
3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine
CID 59649089
5-methyl-4-phenyl-2-pyridin-3-ylaniline
CID 174549338
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
4-phenyl-2-(4-phenylphenyl)aniline
CID 153492708

Frequently Asked Questions

What is the IUPAC name of 2,4-dipyridin-3-ylaniline?
The IUPAC name of 2,4-dipyridin-3-ylaniline (CID 46316358) is 2,4-dipyridin-3-ylaniline.
What is the SMILES notation for 2,4-dipyridin-3-ylaniline?
The canonical SMILES for 2,4-dipyridin-3-ylaniline is Nc1ccc(-c2cccnc2)cc1-c1cccnc1.
What is the InChIKey of 2,4-dipyridin-3-ylaniline?
The InChIKey is FGOKHBOSUAKYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c17-16-6-5-12(13-3-1-7-18-10-13)9-15(16)14-4-2-8-19-11-14/h1-11H,17H2.
What are the key properties of 2,4-dipyridin-3-ylaniline?
2,4-dipyridin-3-ylaniline has a molecular weight of 247.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dipyridin-3-ylaniline is sourced from PubChem (CID 46316358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).