2-chloro-5-[(4-chlorophenyl)-methoxymethyl]pyridine

C13H11Cl2NO — CID 142028970

IUPAC2-chloro-5-[(4-chlorophenyl)-methoxymethyl]pyridine
SMILESCOC(c1ccc(Cl)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C13H11Cl2NO/c1-17-13(9-2-5-11(14)6-3-9)10-4-7-12(15)16-8-10/h2-8,13H,1H3
InChIKeyVCFQHSIDZQWVQM-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.12
Rot. Bonds3

About 2-chloro-5-[(4-chlorophenyl)-methoxymethyl]pyridine

2-chloro-5-[(4-chlorophenyl)-methoxymethyl]pyridine (PubChem CID 142028970) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 2-chloro-5-[(4-chlorophenyl)-methoxymethyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(4-chlorophenyl)-methoxymethyl]pyridine
PubChem CID142028970
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name2-chloro-5-[(4-chlorophenyl)-methoxymethyl]pyridine
SMILESCOC(c1ccc(Cl)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C13H11Cl2NO/c1-17-13(9-2-5-11(14)6-3-9)10-4-7-12(15)16-8-10/h2-8,13H,1H3
InChIKeyVCFQHSIDZQWVQM-UHFFFAOYSA-N
XLogP4.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine
CID 18327281
1-(6-chloro-3-pyridinyl)-2-methoxyethanamine
CID 55272792
2-chloro-5-pentan-3-ylpyridine
CID 134459618
1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130041973
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
CID 55278839
(2R)-2-(6-chloro-3-pyridinyl)propanenitrile
CID 95169683
N-[1-(6-chloro-3-pyridinyl)ethoxy]ethanimine
CID 172749140
1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine
CID 131049185
5-[1-bromo-1-(4-chlorophenyl)ethyl]-2-chloropyridine
CID 174385685
3-(6-chloro-3-pyridinyl)butan-2-one
CID 59396961
2-(6-chloro-3-pyridinyl)pentanal
CID 170986632

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-chlorophenyl)-methoxymethyl]pyridine?
The IUPAC name of 2-chloro-5-[(4-chlorophenyl)-methoxymethyl]pyridine (CID 142028970) is 2-chloro-5-[(4-chlorophenyl)-methoxymethyl]pyridine.
What is the SMILES notation for 2-chloro-5-[(4-chlorophenyl)-methoxymethyl]pyridine?
The canonical SMILES for 2-chloro-5-[(4-chlorophenyl)-methoxymethyl]pyridine is COC(c1ccc(Cl)cc1)c1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-[(4-chlorophenyl)-methoxymethyl]pyridine?
The InChIKey is VCFQHSIDZQWVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-17-13(9-2-5-11(14)6-3-9)10-4-7-12(15)16-8-10/h2-8,13H,1H3.
What are the key properties of 2-chloro-5-[(4-chlorophenyl)-methoxymethyl]pyridine?
2-chloro-5-[(4-chlorophenyl)-methoxymethyl]pyridine has a molecular weight of 268.14 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-chlorophenyl)-methoxymethyl]pyridine is sourced from PubChem (CID 142028970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).