4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine

C13H11Cl2NO — CID 43141959

IUPAC4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
SMILESClCc1cc(Cl)ccc1OCc1ccncc1
InChIInChI=1S/C13H11Cl2NO/c14-8-11-7-12(15)1-2-13(11)17-9-10-3-5-16-6-4-10/h1-7H,8-9H2
InChIKeyRTFSBHAIPSEOHC-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.05
Rot. Bonds4

About 4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine

4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine (PubChem CID 43141959) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
PubChem CID43141959
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
SMILESClCc1cc(Cl)ccc1OCc1ccncc1
InChIInChI=1S/C13H11Cl2NO/c14-8-11-7-12(15)1-2-13(11)17-9-10-3-5-16-6-4-10/h1-7H,8-9H2
InChIKeyRTFSBHAIPSEOHC-UHFFFAOYSA-N
XLogP4.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 39869127
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine
CID 62699009
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 4718122
2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene
CID 43141982
(5-chloro-2-ethoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium
CID 7228232
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 4718771
4-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 59391367
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine
CID 79261295
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium
CID 7228193
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
CID 43324923
1-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole
CID 141319425

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine?
The IUPAC name of 4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine (CID 43141959) is 4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine is ClCc1cc(Cl)ccc1OCc1ccncc1.
What is the InChIKey of 4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine?
The InChIKey is RTFSBHAIPSEOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c14-8-11-7-12(15)1-2-13(11)17-9-10-3-5-16-6-4-10/h1-7H,8-9H2.
What are the key properties of 4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine?
4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine has a molecular weight of 268.14 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 43141959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).