ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate

C10H14ClNO2 — CID 170617619

IUPACethane;methyl 6-chloro-5-methylpyridine-3-carboxylate
SMILESCC.COC(=O)c1cnc(Cl)c(C)c1
InChIInChI=1S/C8H8ClNO2.C2H6/c1-5-3-6(8(11)12-2)4-10-7(5)9;1-2/h3-4H,1-2H3;1-2H3
InChIKeyDSBUEMBAZIXVCR-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.86
Rot. Bonds1

About ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate

ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate (PubChem CID 170617619) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethane;methyl 6-chloro-5-methylpyridine-3-carboxylate
PubChem CID170617619
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Nameethane;methyl 6-chloro-5-methylpyridine-3-carboxylate
SMILESCC.COC(=O)c1cnc(Cl)c(C)c1
InChIInChI=1S/C8H8ClNO2.C2H6/c1-5-3-6(8(11)12-2)4-10-7(5)9;1-2/h3-4H,1-2H3;1-2H3
InChIKeyDSBUEMBAZIXVCR-UHFFFAOYSA-N
XLogP2.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate
CID 127263097
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate
CID 102544528
ethane;methyl 4-chloro-3-methoxy-5-methylbenzoate
CID 145414016
methyl 6-chloro-5-(3-hydroxypropyl)pyridine-3-carboxylate
CID 150603991
3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170824623
methyl 6-chloro-5-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133087929
ethyl 6-chloro-5-methylpyridine-3-carboxylate;ethyl 5-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 158952249
methyl 6-chloro-5-(3-sulfanylprop-1-enyl)pyridine-3-carboxylate
CID 169455794
ethane;methyl 5-cyano-6-methylpyridine-3-carboxylate
CID 164905739
methyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate
CID 102544682
methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
CID 171858607

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate?
The IUPAC name of ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate (CID 170617619) is ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate.
What is the SMILES notation for ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate?
The canonical SMILES for ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate is CC.COC(=O)c1cnc(Cl)c(C)c1.
What is the InChIKey of ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate?
The InChIKey is DSBUEMBAZIXVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2.C2H6/c1-5-3-6(8(11)12-2)4-10-7(5)9;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate?
ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate has a molecular weight of 215.68 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 170617619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).