3-(2,3-dihydropyridin-6-ylmethyl)pyridine

C11H12N2 — CID 164789731

IUPAC3-(2,3-dihydropyridin-6-ylmethyl)pyridine
SMILESC1=CC(Cc2cccnc2)=NCC1
InChIInChI=1S/C11H12N2/c1-2-7-13-11(5-1)8-10-4-3-6-12-9-10/h1,3-6,9H,2,7-8H2
InChIKeyRQBFCMGFXMZKRT-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.03
Rot. Bonds2

About 3-(2,3-dihydropyridin-6-ylmethyl)pyridine

3-(2,3-dihydropyridin-6-ylmethyl)pyridine (PubChem CID 164789731) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-(2,3-dihydropyridin-6-ylmethyl)pyridine.

Molecular Properties

Compound Name3-(2,3-dihydropyridin-6-ylmethyl)pyridine
PubChem CID164789731
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name3-(2,3-dihydropyridin-6-ylmethyl)pyridine
SMILESC1=CC(Cc2cccnc2)=NCC1
InChIInChI=1S/C11H12N2/c1-2-7-13-11(5-1)8-10-4-3-6-12-9-10/h1,3-6,9H,2,7-8H2
InChIKeyRQBFCMGFXMZKRT-UHFFFAOYSA-N
XLogP2.03
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-(1,3-benzodioxol-5-ylmethyl)pyridine
CID 173231937
3-ethylpyridine
CID 10823
bis(pyridin-3-ylmethyl)azanium
CID 6946562
4-(pyridin-3-ylmethyl)phenol;hydrochloride
CID 13290136
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
3-benzylpyridine;formic acid
CID 174503454
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681587
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
pyridin-3-ylmethanesulfonyl chloride
CID 4658302
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydropyridin-6-ylmethyl)pyridine?
The IUPAC name of 3-(2,3-dihydropyridin-6-ylmethyl)pyridine (CID 164789731) is 3-(2,3-dihydropyridin-6-ylmethyl)pyridine.
What is the SMILES notation for 3-(2,3-dihydropyridin-6-ylmethyl)pyridine?
The canonical SMILES for 3-(2,3-dihydropyridin-6-ylmethyl)pyridine is C1=CC(Cc2cccnc2)=NCC1.
What is the InChIKey of 3-(2,3-dihydropyridin-6-ylmethyl)pyridine?
The InChIKey is RQBFCMGFXMZKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-7-13-11(5-1)8-10-4-3-6-12-9-10/h1,3-6,9H,2,7-8H2.
What are the key properties of 3-(2,3-dihydropyridin-6-ylmethyl)pyridine?
3-(2,3-dihydropyridin-6-ylmethyl)pyridine has a molecular weight of 172.23 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydropyridin-6-ylmethyl)pyridine is sourced from PubChem (CID 164789731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).