6-benzyl-1-chloro-5-methyl-2H-pyridine

C13H14ClN — CID 90826342

IUPAC6-benzyl-1-chloro-5-methyl-2H-pyridine
SMILESCC1=C(Cc2ccccc2)N(Cl)CC=C1
InChIInChI=1S/C13H14ClN/c1-11-6-5-9-15(14)13(11)10-12-7-3-2-4-8-12/h2-8H,9-10H2,1H3
InChIKeyNQIFRVUHQZNGBD-UHFFFAOYSA-N
MW219.72 g/mol
LogP3.53
Rot. Bonds2

About 6-benzyl-1-chloro-5-methyl-2H-pyridine

6-benzyl-1-chloro-5-methyl-2H-pyridine (PubChem CID 90826342) has the molecular formula C13H14ClN and a molecular weight of 219.72 g/mol. Its IUPAC name is 6-benzyl-1-chloro-5-methyl-2H-pyridine.

Molecular Properties

Compound Name6-benzyl-1-chloro-5-methyl-2H-pyridine
PubChem CID90826342
Molecular FormulaC13H14ClN
Molecular Weight219.72 g/mol
Exact Mass219.08
IUPAC Name6-benzyl-1-chloro-5-methyl-2H-pyridine
SMILESCC1=C(Cc2ccccc2)N(Cl)CC=C1
InChIInChI=1S/C13H14ClN/c1-11-6-5-9-15(14)13(11)10-12-7-3-2-4-8-12/h2-8H,9-10H2,1H3
InChIKeyNQIFRVUHQZNGBD-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1-chloro-5-methyl-2H-pyridin-6-yl)propyl]isoindole-1,3-dione
CID 91604512
1-benzyl-5-methyl-2H-pyridine
CID 15225953
phenyl(113C)methylbenzene
CID 11194569
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
3-benzyl-6-methylpyridazine
CID 89117444
benzylbenzene;ethane;methanamine
CID 54117827
benzylbenzene;methoxymethane
CID 161110966
1-benzyl-4-methylbenzene;toluene
CID 144690555
benzylbenzene;propane;toluene
CID 90753545
1,7-dibenzyl-2,6-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione
CID 20707308
cyclohexa-1,5-dien-1-ylmethylbenzene;ethane
CID 143782404

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-chloro-5-methyl-2H-pyridine?
The IUPAC name of 6-benzyl-1-chloro-5-methyl-2H-pyridine (CID 90826342) is 6-benzyl-1-chloro-5-methyl-2H-pyridine.
What is the SMILES notation for 6-benzyl-1-chloro-5-methyl-2H-pyridine?
The canonical SMILES for 6-benzyl-1-chloro-5-methyl-2H-pyridine is CC1=C(Cc2ccccc2)N(Cl)CC=C1.
What is the InChIKey of 6-benzyl-1-chloro-5-methyl-2H-pyridine?
The InChIKey is NQIFRVUHQZNGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN/c1-11-6-5-9-15(14)13(11)10-12-7-3-2-4-8-12/h2-8H,9-10H2,1H3.
What are the key properties of 6-benzyl-1-chloro-5-methyl-2H-pyridine?
6-benzyl-1-chloro-5-methyl-2H-pyridine has a molecular weight of 219.72 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-chloro-5-methyl-2H-pyridine is sourced from PubChem (CID 90826342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).