4-(2,6-dichlorophenyl)-2-methoxypyridine

C12H9Cl2NO — CID 118852441

IUPAC4-(2,6-dichlorophenyl)-2-methoxypyridine
SMILESCOc1cc(-c2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C12H9Cl2NO/c1-16-11-7-8(5-6-15-11)12-9(13)3-2-4-10(12)14/h2-7H,1H3
InChIKeyKTINZQWRCRKKHR-UHFFFAOYSA-N
MW254.12 g/mol
LogP4.06
Rot. Bonds2

About 4-(2,6-dichlorophenyl)-2-methoxypyridine

4-(2,6-dichlorophenyl)-2-methoxypyridine (PubChem CID 118852441) has the molecular formula C12H9Cl2NO and a molecular weight of 254.12 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-2-methoxypyridine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-2-methoxypyridine
PubChem CID118852441
Molecular FormulaC12H9Cl2NO
Molecular Weight254.12 g/mol
Exact Mass253.01
IUPAC Name4-(2,6-dichlorophenyl)-2-methoxypyridine
SMILESCOc1cc(-c2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C12H9Cl2NO/c1-16-11-7-8(5-6-15-11)12-9(13)3-2-4-10(12)14/h2-7H,1H3
InChIKeyKTINZQWRCRKKHR-UHFFFAOYSA-N
XLogP4.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-2-methoxypyridine?
The IUPAC name of 4-(2,6-dichlorophenyl)-2-methoxypyridine (CID 118852441) is 4-(2,6-dichlorophenyl)-2-methoxypyridine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-2-methoxypyridine?
The canonical SMILES for 4-(2,6-dichlorophenyl)-2-methoxypyridine is COc1cc(-c2c(Cl)cccc2Cl)ccn1.
What is the InChIKey of 4-(2,6-dichlorophenyl)-2-methoxypyridine?
The InChIKey is KTINZQWRCRKKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO/c1-16-11-7-8(5-6-15-11)12-9(13)3-2-4-10(12)14/h2-7H,1H3.
What are the key properties of 4-(2,6-dichlorophenyl)-2-methoxypyridine?
4-(2,6-dichlorophenyl)-2-methoxypyridine has a molecular weight of 254.12 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-2-methoxypyridine is sourced from PubChem (CID 118852441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).