3-[(2-chlorophenoxy)methyl]-5-(4-methylphenyl)pyridine

C19H16ClNO — CID 42851667

IUPAC3-[(2-chlorophenoxy)methyl]-5-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2cncc(COc3ccccc3Cl)c2)cc1
InChIInChI=1S/C19H16ClNO/c1-14-6-8-16(9-7-14)17-10-15(11-21-12-17)13-22-19-5-3-2-4-18(19)20/h2-12H,13H2,1H3
InChIKeyLYGCZBNJIPHUKQ-UHFFFAOYSA-N
MW309.80 g/mol
LogP5.29
Rot. Bonds4

About 3-[(2-chlorophenoxy)methyl]-5-(4-methylphenyl)pyridine

3-[(2-chlorophenoxy)methyl]-5-(4-methylphenyl)pyridine (PubChem CID 42851667) has the molecular formula C19H16ClNO and a molecular weight of 309.80 g/mol. Its IUPAC name is 3-[(2-chlorophenoxy)methyl]-5-(4-methylphenyl)pyridine.

Molecular Properties

Compound Name3-[(2-chlorophenoxy)methyl]-5-(4-methylphenyl)pyridine
PubChem CID42851667
Molecular FormulaC19H16ClNO
Molecular Weight309.80 g/mol
Exact Mass309.09
IUPAC Name3-[(2-chlorophenoxy)methyl]-5-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2cncc(COc3ccccc3Cl)c2)cc1
InChIInChI=1S/C19H16ClNO/c1-14-6-8-16(9-7-14)17-10-15(11-21-12-17)13-22-19-5-3-2-4-18(19)20/h2-12H,13H2,1H3
InChIKeyLYGCZBNJIPHUKQ-UHFFFAOYSA-N
XLogP5.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.80
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]pyridine
CID 42851689
3-[(2-chlorophenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]pyridine
CID 46044327
3-(1-benzothiophen-2-yl)-5-[(2-chlorophenoxy)methyl]pyridine
CID 42851650
3-[(2,4-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridine
CID 42851737
3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine
CID 46044387
3-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 121427496
2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102878213
3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine
CID 102881286
3-[(2,4-dimethylphenoxy)methyl]-5-(3-ethoxyphenyl)pyridine
CID 42851644
1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881647
4-[(2-chlorophenoxy)methyl]-1,2-dimethoxybenzene
CID 64763618
4-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 59391367

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenoxy)methyl]-5-(4-methylphenyl)pyridine?
The IUPAC name of 3-[(2-chlorophenoxy)methyl]-5-(4-methylphenyl)pyridine (CID 42851667) is 3-[(2-chlorophenoxy)methyl]-5-(4-methylphenyl)pyridine.
What is the SMILES notation for 3-[(2-chlorophenoxy)methyl]-5-(4-methylphenyl)pyridine?
The canonical SMILES for 3-[(2-chlorophenoxy)methyl]-5-(4-methylphenyl)pyridine is Cc1ccc(-c2cncc(COc3ccccc3Cl)c2)cc1.
What is the InChIKey of 3-[(2-chlorophenoxy)methyl]-5-(4-methylphenyl)pyridine?
The InChIKey is LYGCZBNJIPHUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO/c1-14-6-8-16(9-7-14)17-10-15(11-21-12-17)13-22-19-5-3-2-4-18(19)20/h2-12H,13H2,1H3.
What are the key properties of 3-[(2-chlorophenoxy)methyl]-5-(4-methylphenyl)pyridine?
3-[(2-chlorophenoxy)methyl]-5-(4-methylphenyl)pyridine has a molecular weight of 309.80 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenoxy)methyl]-5-(4-methylphenyl)pyridine is sourced from PubChem (CID 42851667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).