pyridin-4-ylmethanol;3,4,5-trimethoxybenzoic acid;hydrochloride

C16H20ClNO6 — CID 20833884

IUPACpyridin-4-ylmethanol;3,4,5-trimethoxybenzoic acid;hydrochloride
SMILESCOc1cc(C(=O)O)cc(OC)c1OC.Cl.OCc1ccncc1
InChIInChI=1S/C10H12O5.C6H7NO.ClH/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;8-5-6-1-3-7-4-2-6;/h4-5H,1-3H3,(H,11,12);1-4,8H,5H2;1H
InChIKeyXKQRGMXDWIPFAX-UHFFFAOYSA-N
MW357.79 g/mol
LogP2.41
Rot. Bonds5

About pyridin-4-ylmethanol;3,4,5-trimethoxybenzoic acid;hydrochloride

pyridin-4-ylmethanol;3,4,5-trimethoxybenzoic acid;hydrochloride (PubChem CID 20833884) has the molecular formula C16H20ClNO6 and a molecular weight of 357.79 g/mol. Its IUPAC name is pyridin-4-ylmethanol;3,4,5-trimethoxybenzoic acid;hydrochloride.

Molecular Properties

Compound Namepyridin-4-ylmethanol;3,4,5-trimethoxybenzoic acid;hydrochloride
PubChem CID20833884
Molecular FormulaC16H20ClNO6
Molecular Weight357.79 g/mol
Exact Mass357.10
IUPAC Namepyridin-4-ylmethanol;3,4,5-trimethoxybenzoic acid;hydrochloride
SMILESCOc1cc(C(=O)O)cc(OC)c1OC.Cl.OCc1ccncc1
InChIInChI=1S/C10H12O5.C6H7NO.ClH/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;8-5-6-1-3-7-4-2-6;/h4-5H,1-3H3,(H,11,12);1-4,8H,5H2;1H
InChIKeyXKQRGMXDWIPFAX-UHFFFAOYSA-N
XLogP2.41
TPSA98.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylamino)propan-1-ol;3,4,5-trimethoxybenzoic acid;hydrochloride
CID 20833879
3,4,5-trimethoxy-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]benzamide
CID 113042222
N-pyridin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 27700068
4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid
CID 82123949
3,4-dimethoxy-5-(4-propylphenoxy)benzoic acid
CID 142698609
1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride
CID 53351776
3-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79624420
4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11439916
pyridin-4-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 4753894
2-[ethyl(2-phenylethyl)amino]ethanol;3,4,5-trimethoxybenzoic acid
CID 21152650
3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid
CID 16770015
4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978

Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethanol;3,4,5-trimethoxybenzoic acid;hydrochloride?
The IUPAC name of pyridin-4-ylmethanol;3,4,5-trimethoxybenzoic acid;hydrochloride (CID 20833884) is pyridin-4-ylmethanol;3,4,5-trimethoxybenzoic acid;hydrochloride.
What is the SMILES notation for pyridin-4-ylmethanol;3,4,5-trimethoxybenzoic acid;hydrochloride?
The canonical SMILES for pyridin-4-ylmethanol;3,4,5-trimethoxybenzoic acid;hydrochloride is COc1cc(C(=O)O)cc(OC)c1OC.Cl.OCc1ccncc1.
What is the InChIKey of pyridin-4-ylmethanol;3,4,5-trimethoxybenzoic acid;hydrochloride?
The InChIKey is XKQRGMXDWIPFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5.C6H7NO.ClH/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;8-5-6-1-3-7-4-2-6;/h4-5H,1-3H3,(H,11,12);1-4,8H,5H2;1H.
What are the key properties of pyridin-4-ylmethanol;3,4,5-trimethoxybenzoic acid;hydrochloride?
pyridin-4-ylmethanol;3,4,5-trimethoxybenzoic acid;hydrochloride has a molecular weight of 357.79 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethanol;3,4,5-trimethoxybenzoic acid;hydrochloride is sourced from PubChem (CID 20833884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).