methyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride

C9H12ClNO2 — CID 167762348

IUPACmethyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1c(C)ccnc1C.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-6-4-5-10-7(2)8(6)9(11)12-3;/h4-5H,1-3H3;1H
InChIKeyVZXKUZFAKBGWCS-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.91
Rot. Bonds1

About methyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride

methyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride (PubChem CID 167762348) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is methyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride
PubChem CID167762348
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Namemethyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1c(C)ccnc1C.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-6-4-5-10-7(2)8(6)9(11)12-3;/h4-5H,1-3H3;1H
InChIKeyVZXKUZFAKBGWCS-UHFFFAOYSA-N
XLogP1.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-tert-butyl-2-methylpyridine-3-carboxylate
CID 118506573
methyl 2-tert-butyl-4-methylpyridine-3-carboxylate
CID 118501840
1-(2,4-dimethyl-3-pyridinyl)-2,2-dimethylpropan-1-one;hydrate
CID 142909262
methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
2-methoxycarbonyl-3,6-dimethylbenzoic acid
CID 103845883
ethane;methyl 2-cyclopentyloxy-4-methylpyridine-3-carboxylate
CID 144628092
methyl 4-(4-bromo-2,3-difluorophenyl)-2-methylpyridine-3-carboxylate
CID 86710363
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)methoxy]-4-methylpyridine-3-carboxylate
CID 139847744
dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate
CID 14671429
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate
CID 10878792

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride (CID 167762348) is methyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride is COC(=O)c1c(C)ccnc1C.Cl.
What is the InChIKey of methyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride?
The InChIKey is VZXKUZFAKBGWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-6-4-5-10-7(2)8(6)9(11)12-3;/h4-5H,1-3H3;1H.
What are the key properties of methyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride?
methyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 167762348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).