ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate

C10H14FNO2 — CID 176560584

IUPACethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate
SMILESCC.COC(=O)c1ccc(F)c(C)n1
InChIInChI=1S/C8H8FNO2.C2H6/c1-5-6(9)3-4-7(10-5)8(11)12-2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyCKOHREMJLXBVRV-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.34
Rot. Bonds1

About ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate

ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate (PubChem CID 176560584) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate
PubChem CID176560584
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Nameethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate
SMILESCC.COC(=O)c1ccc(F)c(C)n1
InChIInChI=1S/C8H8FNO2.C2H6/c1-5-6(9)3-4-7(10-5)8(11)12-2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyCKOHREMJLXBVRV-UHFFFAOYSA-N
XLogP2.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate
CID 130063891
methyl 5-(fluoromethyl)-6-methylpyridine-2-carboxylate
CID 118048307
methyl 5-chloro-8-fluoroquinoline-2-carboxylate
CID 102941497
5-fluoro-6-methylpyridine-2-carboxylic acid;formamide
CID 143716131
methyl 6-[2,6-difluoro-3-(2-oxopropyl)phenyl]-5-fluoropyridine-2-carboxylate
CID 160623655
methyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636661
methyl 6-(fluoromethyl)-5-methylpyridine-2-carboxylate
CID 176600197
methyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate
CID 70654789
methyl 7-chloro-8-fluoroquinoline-2-carboxylate
CID 102941458
methyl 5-chloropyridine-2-carboxylate
CID 11298216
6-(1-ethoxyethenyl)-3-fluoro-2-methylpyridine
CID 67324666
N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide
CID 146080495

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate?
The IUPAC name of ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate (CID 176560584) is ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate.
What is the SMILES notation for ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate?
The canonical SMILES for ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate is CC.COC(=O)c1ccc(F)c(C)n1.
What is the InChIKey of ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate?
The InChIKey is CKOHREMJLXBVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2.C2H6/c1-5-6(9)3-4-7(10-5)8(11)12-2;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate?
ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate has a molecular weight of 199.22 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 176560584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).