2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine

C13H13ClN2O — CID 79799554

IUPAC2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine
SMILESCc1cccc(COc2ccc(CCl)nc2)n1
InChIInChI=1S/C13H13ClN2O/c1-10-3-2-4-12(16-10)9-17-13-6-5-11(7-14)15-8-13/h2-6,8H,7,9H2,1H3
InChIKeyQPJFZTNXXWFNIF-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.10
Rot. Bonds4

About 2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine

2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine (PubChem CID 79799554) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine
PubChem CID79799554
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine
SMILESCc1cccc(COc2ccc(CCl)nc2)n1
InChIInChI=1S/C13H13ClN2O/c1-10-3-2-4-12(16-10)9-17-13-6-5-11(7-14)15-8-13/h2-6,8H,7,9H2,1H3
InChIKeyQPJFZTNXXWFNIF-UHFFFAOYSA-N
XLogP3.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[5-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79789500
[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 79267363
2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine
CID 79799843
2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline
CID 79267749
2-[[4-(3-chloroprop-1-ynyl)-3-methylphenoxy]methyl]-6-methylpyridine
CID 83135260
2-[(5-bromo-3-pyridinyl)oxymethyl]-6-methylpyridine
CID 79267890
2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine
CID 79800294
2-(chloromethyl)-5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]pyridine
CID 79800385
2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907533
2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine
CID 116805488
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine
CID 79261295
2-methyl-6-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine
CID 67026641

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine?
The IUPAC name of 2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine (CID 79799554) is 2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine.
What is the SMILES notation for 2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine?
The canonical SMILES for 2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine is Cc1cccc(COc2ccc(CCl)nc2)n1.
What is the InChIKey of 2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine?
The InChIKey is QPJFZTNXXWFNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-10-3-2-4-12(16-10)9-17-13-6-5-11(7-14)15-8-13/h2-6,8H,7,9H2,1H3.
What are the key properties of 2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine?
2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine has a molecular weight of 248.71 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine is sourced from PubChem (CID 79799554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).