2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine

C14H14ClNO2 — CID 79799843

IUPAC2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine
SMILESCOc1cccc(COc2ccc(CCl)nc2)c1
InChIInChI=1S/C14H14ClNO2/c1-17-13-4-2-3-11(7-13)10-18-14-6-5-12(8-15)16-9-14/h2-7,9H,8,10H2,1H3
InChIKeyPTPUVWMQINPLKP-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.41
Rot. Bonds5

About 2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine

2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine (PubChem CID 79799843) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine
PubChem CID79799843
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine
SMILESCOc1cccc(COc2ccc(CCl)nc2)c1
InChIInChI=1S/C14H14ClNO2/c1-17-13-4-2-3-11(7-13)10-18-14-6-5-12(8-15)16-9-14/h2-7,9H,8,10H2,1H3
InChIKeyPTPUVWMQINPLKP-UHFFFAOYSA-N
XLogP3.41
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.41
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

[5-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methanamine
CID 79775923
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
N-ethyl-1-[5-[(3-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 83111596
2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 79799554
2-chloro-5-[(3-methoxyphenyl)methoxymethyl]pyrazine
CID 103054759
3-(chloromethyl)-2-[(3-methoxyphenyl)methoxy]pyridine
CID 61256426
2,5-bis[(3-methoxyphenyl)methyl]pyridine
CID 91067305
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
4-[(3-methoxyphenyl)methoxy]-N-methylaniline
CID 39205064
1-ethenyl-4-[(3-methoxyphenyl)methoxy]benzene
CID 142732471
potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide
CID 63678299
[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methanol
CID 61255053

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine?
The IUPAC name of 2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine (CID 79799843) is 2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine.
What is the SMILES notation for 2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine?
The canonical SMILES for 2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine is COc1cccc(COc2ccc(CCl)nc2)c1.
What is the InChIKey of 2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine?
The InChIKey is PTPUVWMQINPLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-17-13-4-2-3-11(7-13)10-18-14-6-5-12(8-15)16-9-14/h2-7,9H,8,10H2,1H3.
What are the key properties of 2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine?
2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine has a molecular weight of 263.72 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine is sourced from PubChem (CID 79799843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).