[5-chloro-2-(2,6-dimethoxyphenoxy)-4-pyridinyl]methanol

C14H14ClNO4 — CID 114920569

IUPAC[5-chloro-2-(2,6-dimethoxyphenoxy)-4-pyridinyl]methanol
SMILESCOc1cccc(OC)c1Oc1cc(CO)c(Cl)cn1
InChIInChI=1S/C14H14ClNO4/c1-18-11-4-3-5-12(19-2)14(11)20-13-6-9(8-17)10(15)7-16-13/h3-7,17H,8H2,1-2H3
InChIKeyJVODIAWVMRZBQF-UHFFFAOYSA-N
MW295.72 g/mol
LogP3.04
Rot. Bonds5

About [5-chloro-2-(2,6-dimethoxyphenoxy)-4-pyridinyl]methanol

[5-chloro-2-(2,6-dimethoxyphenoxy)-4-pyridinyl]methanol (PubChem CID 114920569) has the molecular formula C14H14ClNO4 and a molecular weight of 295.72 g/mol. Its IUPAC name is [5-chloro-2-(2,6-dimethoxyphenoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(2,6-dimethoxyphenoxy)-4-pyridinyl]methanol
PubChem CID114920569
Molecular FormulaC14H14ClNO4
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name[5-chloro-2-(2,6-dimethoxyphenoxy)-4-pyridinyl]methanol
SMILESCOc1cccc(OC)c1Oc1cc(CO)c(Cl)cn1
InChIInChI=1S/C14H14ClNO4/c1-18-11-4-3-5-12(19-2)14(11)20-13-6-9(8-17)10(15)7-16-13/h3-7,17H,8H2,1-2H3
InChIKeyJVODIAWVMRZBQF-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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Related Compounds

[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]methanol
CID 114920716
[5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol
CID 114920629
[5-chloro-2-(4-propylphenoxy)-4-pyridinyl]methanol
CID 114920713
N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928315
(5-chloro-2-methoxy-4-pyridinyl)methanol;pyrrolidin-1-ide;tungsten
CID 168918393
[5-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-pyridinyl]methanol
CID 114920744
(5-chloro-2-quinolin-3-yloxy-4-pyridinyl)methanol
CID 107387669
1,2-dichloro-3-(2,6-dimethoxyphenoxy)benzene
CID 173291827
N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928088
[5-chloro-2-(3,3-dimethylbutoxy)-4-pyridinyl]methanol
CID 114920735
N-[[5-chloro-2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114927929
1-[5-chloro-2-(2,3-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928078

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2,6-dimethoxyphenoxy)-4-pyridinyl]methanol?
The IUPAC name of [5-chloro-2-(2,6-dimethoxyphenoxy)-4-pyridinyl]methanol (CID 114920569) is [5-chloro-2-(2,6-dimethoxyphenoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-2-(2,6-dimethoxyphenoxy)-4-pyridinyl]methanol?
The canonical SMILES for [5-chloro-2-(2,6-dimethoxyphenoxy)-4-pyridinyl]methanol is COc1cccc(OC)c1Oc1cc(CO)c(Cl)cn1.
What is the InChIKey of [5-chloro-2-(2,6-dimethoxyphenoxy)-4-pyridinyl]methanol?
The InChIKey is JVODIAWVMRZBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4/c1-18-11-4-3-5-12(19-2)14(11)20-13-6-9(8-17)10(15)7-16-13/h3-7,17H,8H2,1-2H3.
What are the key properties of [5-chloro-2-(2,6-dimethoxyphenoxy)-4-pyridinyl]methanol?
[5-chloro-2-(2,6-dimethoxyphenoxy)-4-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 [5-chloro-2-(2,6-dimethoxyphenoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 114920569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).