methyl 3-chloro-2-methoxy-5-methylpyridine-4-carboxylate

C9H10ClNO3 — CID 178117640

IUPACmethyl 3-chloro-2-methoxy-5-methylpyridine-4-carboxylate
SMILESCOC(=O)c1c(C)cnc(OC)c1Cl
InChIInChI=1S/C9H10ClNO3/c1-5-4-11-8(13-2)7(10)6(5)9(12)14-3/h4H,1-3H3
InChIKeyNYXRYTOTRVWBHQ-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.84
Rot. Bonds2

About methyl 3-chloro-2-methoxy-5-methylpyridine-4-carboxylate

methyl 3-chloro-2-methoxy-5-methylpyridine-4-carboxylate (PubChem CID 178117640) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is methyl 3-chloro-2-methoxy-5-methylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-2-methoxy-5-methylpyridine-4-carboxylate
PubChem CID178117640
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Namemethyl 3-chloro-2-methoxy-5-methylpyridine-4-carboxylate
SMILESCOC(=O)c1c(C)cnc(OC)c1Cl
InChIInChI=1S/C9H10ClNO3/c1-5-4-11-8(13-2)7(10)6(5)9(12)14-3/h4H,1-3H3
InChIKeyNYXRYTOTRVWBHQ-UHFFFAOYSA-N
XLogP1.84
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-2-chloro-5-methylpyridine-4-carboxylate;hydrochloride
CID 130229255
methyl 2-chloro-4-(difluoromethyl)-5-methylpyridine-3-carboxylate
CID 130074412
3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine
CID 130073666
methyl 2-methoxy-5-methylpyridine-3-carboxylate
CID 22678367
methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate
CID 133103370
methyl 2,3,4,5,6-pentachlorobenzoate
CID 12827694
methyl 4-(difluoromethyl)-2,5-dimethoxypyridine-3-carboxylate
CID 134684678
ethane;methyl 4-chloro-3-methoxy-5-methylbenzoate
CID 145414016
methyl 4-amino-5-(4-amino-6-chloro-5-methoxycarbonyl-3-pyridinyl)-2-chloropyridine-3-carboxylate
CID 177042722
methyl 2-chloro-4-methoxypyrimidine-5-carboxylate
CID 71741355
3,5-dichloro-2-methoxy-N-(thiadiazol-5-yl)pyridine-4-carboxamide
CID 167794024
methyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate
CID 133105528

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-2-methoxy-5-methylpyridine-4-carboxylate?
The IUPAC name of methyl 3-chloro-2-methoxy-5-methylpyridine-4-carboxylate (CID 178117640) is methyl 3-chloro-2-methoxy-5-methylpyridine-4-carboxylate.
What is the SMILES notation for methyl 3-chloro-2-methoxy-5-methylpyridine-4-carboxylate?
The canonical SMILES for methyl 3-chloro-2-methoxy-5-methylpyridine-4-carboxylate is COC(=O)c1c(C)cnc(OC)c1Cl.
What is the InChIKey of methyl 3-chloro-2-methoxy-5-methylpyridine-4-carboxylate?
The InChIKey is NYXRYTOTRVWBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-5-4-11-8(13-2)7(10)6(5)9(12)14-3/h4H,1-3H3.
What are the key properties of methyl 3-chloro-2-methoxy-5-methylpyridine-4-carboxylate?
methyl 3-chloro-2-methoxy-5-methylpyridine-4-carboxylate has a molecular weight of 215.64 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-2-methoxy-5-methylpyridine-4-carboxylate is sourced from PubChem (CID 178117640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).