3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol

C13H11Cl2NO2 — CID 18504624

IUPAC3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol
SMILESCc1cccc(COc2c(Cl)cc(O)cc2Cl)n1
InChIInChI=1S/C13H11Cl2NO2/c1-8-3-2-4-9(16-8)7-18-13-11(14)5-10(17)6-12(13)15/h2-6,17H,7H2,1H3
InChIKeyDDZUZDLJTDJYTA-UHFFFAOYSA-N
MW284.14 g/mol
LogP3.98
Rot. Bonds3

About 3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol

3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol (PubChem CID 18504624) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is 3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol.

Molecular Properties

Compound Name3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol
PubChem CID18504624
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Name3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol
SMILESCc1cccc(COc2c(Cl)cc(O)cc2Cl)n1
InChIInChI=1S/C13H11Cl2NO2/c1-8-3-2-4-9(16-8)7-18-13-11(14)5-10(17)6-12(13)15/h2-6,17H,7H2,1H3
InChIKeyDDZUZDLJTDJYTA-UHFFFAOYSA-N
XLogP3.98
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol?
The IUPAC name of 3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol (CID 18504624) is 3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol.
What is the SMILES notation for 3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol?
The canonical SMILES for 3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol is Cc1cccc(COc2c(Cl)cc(O)cc2Cl)n1.
What is the InChIKey of 3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol?
The InChIKey is DDZUZDLJTDJYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c1-8-3-2-4-9(16-8)7-18-13-11(14)5-10(17)6-12(13)15/h2-6,17H,7H2,1H3.
What are the key properties of 3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol?
3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol has a molecular weight of 284.14 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol is sourced from PubChem (CID 18504624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).