methyl 6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate

C20H18F2N2O3 — CID 175822613

IUPACmethyl 6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2ccc3ccn(C(=O)C(C)(C)C)c3c2F)n1
InChIInChI=1S/C20H18F2N2O3/c1-20(2,3)19(26)24-10-9-11-5-6-12(15(22)17(11)24)16-13(21)7-8-14(23-16)18(25)27-4/h5-10H,1-4H3
InChIKeyOQSLNJOUAQMKID-UHFFFAOYSA-N
MW372.37 g/mol
LogP4.45
Rot. Bonds2

About methyl 6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate

methyl 6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate (PubChem CID 175822613) has the molecular formula C20H18F2N2O3 and a molecular weight of 372.37 g/mol. Its IUPAC name is methyl 6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate
PubChem CID175822613
Molecular FormulaC20H18F2N2O3
Molecular Weight372.37 g/mol
Exact Mass372.13
IUPAC Namemethyl 6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2ccc3ccn(C(=O)C(C)(C)C)c3c2F)n1
InChIInChI=1S/C20H18F2N2O3/c1-20(2,3)19(26)24-10-9-11-5-6-12(15(22)17(11)24)16-13(21)7-8-14(23-16)18(25)27-4/h5-10H,1-4H3
InChIKeyOQSLNJOUAQMKID-UHFFFAOYSA-N
XLogP4.45
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[2,6-difluoro-3-(2-oxopropyl)phenyl]-5-fluoropyridine-2-carboxylate
CID 160623655
methyl 3-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate
CID 155669366
methyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636661
ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate
CID 176560584
methyl 6-[2,6-difluoro-4-(2-methoxy-2-methylpropoxy)phenyl]-5-fluoropyridine-2-carboxylate
CID 70655100
methyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate
CID 70654789
methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate
CID 130063891
methyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
CID 66652485
methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
CID 10126602
methyl 5,6-bis(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylate
CID 134635394
methyl 7-chloro-8-fluoroquinoline-2-carboxylate
CID 102941458
methyl 1-(4-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxylate
CID 73013659

Frequently Asked Questions

What is the IUPAC name of methyl 6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate (CID 175822613) is methyl 6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate is COC(=O)c1ccc(F)c(-c2ccc3ccn(C(=O)C(C)(C)C)c3c2F)n1.
What is the InChIKey of methyl 6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate?
The InChIKey is OQSLNJOUAQMKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3/c1-20(2,3)19(26)24-10-9-11-5-6-12(15(22)17(11)24)16-13(21)7-8-14(23-16)18(25)27-4/h5-10H,1-4H3.
What are the key properties of methyl 6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate?
methyl 6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate has a molecular weight of 372.37 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 175822613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).