2-methyl-5-[(6-pyridin-4-yl-3-pyridinyl)methyl]pyridine

C17H15N3 — CID 139319025

IUPAC2-methyl-5-[(6-pyridin-4-yl-3-pyridinyl)methyl]pyridine
SMILESCc1ccc(Cc2ccc(-c3ccncc3)nc2)cn1
InChIInChI=1S/C17H15N3/c1-13-2-3-14(11-19-13)10-15-4-5-17(20-12-15)16-6-8-18-9-7-16/h2-9,11-12H,10H2,1H3
InChIKeyGUFLWUOMGHWFTF-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.44
Rot. Bonds3

About 2-methyl-5-[(6-pyridin-4-yl-3-pyridinyl)methyl]pyridine

2-methyl-5-[(6-pyridin-4-yl-3-pyridinyl)methyl]pyridine (PubChem CID 139319025) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-methyl-5-[(6-pyridin-4-yl-3-pyridinyl)methyl]pyridine.

Molecular Properties

Compound Name2-methyl-5-[(6-pyridin-4-yl-3-pyridinyl)methyl]pyridine
PubChem CID139319025
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name2-methyl-5-[(6-pyridin-4-yl-3-pyridinyl)methyl]pyridine
SMILESCc1ccc(Cc2ccc(-c3ccncc3)nc2)cn1
InChIInChI=1S/C17H15N3/c1-13-2-3-14(11-19-13)10-15-4-5-17(20-12-15)16-6-8-18-9-7-16/h2-9,11-12H,10H2,1H3
InChIKeyGUFLWUOMGHWFTF-UHFFFAOYSA-N
XLogP3.44
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(6-pyridin-4-yl-3-pyridinyl)methyl]pyridine?
The IUPAC name of 2-methyl-5-[(6-pyridin-4-yl-3-pyridinyl)methyl]pyridine (CID 139319025) is 2-methyl-5-[(6-pyridin-4-yl-3-pyridinyl)methyl]pyridine.
What is the SMILES notation for 2-methyl-5-[(6-pyridin-4-yl-3-pyridinyl)methyl]pyridine?
The canonical SMILES for 2-methyl-5-[(6-pyridin-4-yl-3-pyridinyl)methyl]pyridine is Cc1ccc(Cc2ccc(-c3ccncc3)nc2)cn1.
What is the InChIKey of 2-methyl-5-[(6-pyridin-4-yl-3-pyridinyl)methyl]pyridine?
The InChIKey is GUFLWUOMGHWFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-13-2-3-14(11-19-13)10-15-4-5-17(20-12-15)16-6-8-18-9-7-16/h2-9,11-12H,10H2,1H3.
What are the key properties of 2-methyl-5-[(6-pyridin-4-yl-3-pyridinyl)methyl]pyridine?
2-methyl-5-[(6-pyridin-4-yl-3-pyridinyl)methyl]pyridine has a molecular weight of 261.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(6-pyridin-4-yl-3-pyridinyl)methyl]pyridine is sourced from PubChem (CID 139319025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).