methyl 6-chloro-3-(methoxymethyl)pyridine-2-carboxylate

C9H10ClNO3 — CID 140938984

IUPACmethyl 6-chloro-3-(methoxymethyl)pyridine-2-carboxylate
SMILESCOCc1ccc(Cl)nc1C(=O)OC
InChIInChI=1S/C9H10ClNO3/c1-13-5-6-3-4-7(10)11-8(6)9(12)14-2/h3-4H,5H2,1-2H3
InChIKeyNKHLETZSYMVZST-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.67
Rot. Bonds3

About methyl 6-chloro-3-(methoxymethyl)pyridine-2-carboxylate

methyl 6-chloro-3-(methoxymethyl)pyridine-2-carboxylate (PubChem CID 140938984) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is methyl 6-chloro-3-(methoxymethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-3-(methoxymethyl)pyridine-2-carboxylate
PubChem CID140938984
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Namemethyl 6-chloro-3-(methoxymethyl)pyridine-2-carboxylate
SMILESCOCc1ccc(Cl)nc1C(=O)OC
InChIInChI=1S/C9H10ClNO3/c1-13-5-6-3-4-7(10)11-8(6)9(12)14-2/h3-4H,5H2,1-2H3
InChIKeyNKHLETZSYMVZST-UHFFFAOYSA-N
XLogP1.67
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 6-chloro-3-nitropyridine-2-carboxylate
CID 122129855
methyl 6-chloro-3-(3,4-dichlorophenyl)pyridine-2-carboxylate
CID 133088044
methyl 6-chloro-3-(2,5-dichlorophenyl)pyridine-2-carboxylate
CID 133088306
methyl 6-chloro-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate
CID 172861319
5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid
CID 176920520
methyl 4-amino-3-chloro-6-[4-chloro-3-(methoxymethyl)phenyl]pyridine-2-carboxylate
CID 22677487
methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130095660
methyl 3-amino-6-(methoxymethyl)pyridine-2-carboxylate
CID 70098483
methyl 4,6-dichloro-3-iodopyridine-2-carboxylate
CID 86668299
6-chloro-3-propylpyridine-2-carboxylic acid
CID 84721152
3,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-carboxamide
CID 115606622
methyl 3-(cyanomethyl)-6-methylpyridine-2-carboxylate
CID 156518639

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-3-(methoxymethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-chloro-3-(methoxymethyl)pyridine-2-carboxylate (CID 140938984) is methyl 6-chloro-3-(methoxymethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-3-(methoxymethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-chloro-3-(methoxymethyl)pyridine-2-carboxylate is COCc1ccc(Cl)nc1C(=O)OC.
What is the InChIKey of methyl 6-chloro-3-(methoxymethyl)pyridine-2-carboxylate?
The InChIKey is NKHLETZSYMVZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-13-5-6-3-4-7(10)11-8(6)9(12)14-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 6-chloro-3-(methoxymethyl)pyridine-2-carboxylate?
methyl 6-chloro-3-(methoxymethyl)pyridine-2-carboxylate has a molecular weight of 215.64 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-3-(methoxymethyl)pyridine-2-carboxylate is sourced from PubChem (CID 140938984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).