[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]methanol

C14H14ClNO4 — CID 61257718

IUPAC[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]methanol
SMILESCOc1cc(OC)cc(Oc2ccc(Cl)c(CO)n2)c1
InChIInChI=1S/C14H14ClNO4/c1-18-9-5-10(19-2)7-11(6-9)20-14-4-3-12(15)13(8-17)16-14/h3-7,17H,8H2,1-2H3
InChIKeySEBKXEJJKBNJTE-UHFFFAOYSA-N
MW295.72 g/mol
LogP3.04
Rot. Bonds5

About [3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]methanol

[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]methanol (PubChem CID 61257718) has the molecular formula C14H14ClNO4 and a molecular weight of 295.72 g/mol. Its IUPAC name is [3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]methanol
PubChem CID61257718
Molecular FormulaC14H14ClNO4
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]methanol
SMILESCOc1cc(OC)cc(Oc2ccc(Cl)c(CO)n2)c1
InChIInChI=1S/C14H14ClNO4/c1-18-9-5-10(19-2)7-11(6-9)20-14-4-3-12(15)13(8-17)16-14/h3-7,17H,8H2,1-2H3
InChIKeySEBKXEJJKBNJTE-UHFFFAOYSA-N
XLogP3.04
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]methanol (CID 61257718) is [3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]methanol is COc1cc(OC)cc(Oc2ccc(Cl)c(CO)n2)c1.
What is the InChIKey of [3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]methanol?
The InChIKey is SEBKXEJJKBNJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4/c1-18-9-5-10(19-2)7-11(6-9)20-14-4-3-12(15)13(8-17)16-14/h3-7,17H,8H2,1-2H3.
What are the key properties of [3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]methanol?
[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]methanol has a molecular weight of 295.72 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 61257718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).