(4-methoxy-3,5-dimethyl-2-pyridinyl)methanol;hydrochloride

C9H14ClNO2 — CID 18459077

IUPAC(4-methoxy-3,5-dimethyl-2-pyridinyl)methanol;hydrochloride
SMILESCOc1c(C)cnc(CO)c1C.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-6-4-10-8(5-11)7(2)9(6)12-3;/h4,11H,5H2,1-3H3;1H
InChIKeyQDZLOVCSHPNYIF-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.62
Rot. Bonds2

About (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol;hydrochloride

(4-methoxy-3,5-dimethyl-2-pyridinyl)methanol;hydrochloride (PubChem CID 18459077) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol;hydrochloride.

Molecular Properties

Compound Name(4-methoxy-3,5-dimethyl-2-pyridinyl)methanol;hydrochloride
PubChem CID18459077
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name(4-methoxy-3,5-dimethyl-2-pyridinyl)methanol;hydrochloride
SMILESCOc1c(C)cnc(CO)c1C.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-6-4-10-8(5-11)7(2)9(6)12-3;/h4,11H,5H2,1-3H3;1H
InChIKeyQDZLOVCSHPNYIF-UHFFFAOYSA-N
XLogP1.62
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyridoxine
CID 1054
Pyridoxine Hydrochloride
CID 6019
4'-O-Methylpyridoxine
CID 76581
Deoxypyridoxine
CID 6094
4-Desoxypyridoxine hydrochloride
CID 67417
2,2,8-Trimethyl-4H-1,3-dioxino(4,5-c)pyridine-5-methanol
CID 70818
4-Methoxymethylpyridoxine hydrochloride
CID 76580
CID 11205997
CID 11205997
3,5-Dimethyl-2-hydroxymethyl-4-methoxy-pyridine
CID 737823
2-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
CID 11229760
Pyridoxaloxime
CID 135473061
4-Methoxy-2,3,5-trimethylpyridine
CID 127899

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol;hydrochloride?
The IUPAC name of (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol;hydrochloride (CID 18459077) is (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol;hydrochloride.
What is the SMILES notation for (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol;hydrochloride?
The canonical SMILES for (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol;hydrochloride is COc1c(C)cnc(CO)c1C.Cl.
What is the InChIKey of (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol;hydrochloride?
The InChIKey is QDZLOVCSHPNYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.ClH/c1-6-4-10-8(5-11)7(2)9(6)12-3;/h4,11H,5H2,1-3H3;1H.
What are the key properties of (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol;hydrochloride?
(4-methoxy-3,5-dimethyl-2-pyridinyl)methanol;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol;hydrochloride is sourced from PubChem (CID 18459077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).