(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate

C15H18N2O5 — CID 158477481

IUPAC(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OC)nc1.COc1ccc(CO)cn1
InChIInChI=1S/C8H9NO3.C7H9NO2/c1-11-7-4-3-6(5-9-7)8(10)12-2;1-10-7-3-2-6(5-9)4-8-7/h3-5H,1-2H3;2-4,9H,5H2,1H3
InChIKeyHHCORAFWFWLMTD-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.46
Rot. Bonds4

About (6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate

(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate (PubChem CID 158477481) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
PubChem CID158477481
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OC)nc1.COc1ccc(CO)cn1
InChIInChI=1S/C8H9NO3.C7H9NO2/c1-11-7-4-3-6(5-9-7)8(10)12-2;1-10-7-3-2-6(5-9)4-8-7/h3-5H,1-2H3;2-4,9H,5H2,1H3
InChIKeyHHCORAFWFWLMTD-UHFFFAOYSA-N
XLogP1.46
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate
CID 138986702
methyl 6-(methoxymethoxy)pyridine-3-carboxylate
CID 50896445
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
methyl 5-(hydroxymethyl)pyridine-2-carboxylate
CID 18974051
methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368225
methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate
CID 18508353
N-[[3-(hydroxymethyl)phenyl]methyl]-6-methoxypyridine-3-carboxamide
CID 63310970
N-[3-(hydroxymethyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 60698682
(2-ethylphenyl) 6-methoxypyridine-3-carboxylate
CID 78826820
N-[4-(2-hydroxyethyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 61221260
methyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate
CID 59042084
1-(6-methoxy-3-pyridinyl)propan-2-one
CID 19760371

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate?
The IUPAC name of (6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate (CID 158477481) is (6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate.
What is the SMILES notation for (6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate?
The canonical SMILES for (6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate is COC(=O)c1ccc(OC)nc1.COc1ccc(CO)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate?
The InChIKey is HHCORAFWFWLMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.C7H9NO2/c1-11-7-4-3-6(5-9-7)8(10)12-2;1-10-7-3-2-6(5-9)4-8-7/h3-5H,1-2H3;2-4,9H,5H2,1H3.
What are the key properties of (6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate?
(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 158477481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).