methyl (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate

C16H15FN2O2 — CID 146430139

IUPACmethyl (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2c(c1)C[C@](C)(c1ccc(F)cc1)N2
InChIInChI=1S/C16H15FN2O2/c1-16(12-3-5-13(17)6-4-12)8-10-7-11(15(20)21-2)9-18-14(10)19-16/h3-7,9H,8H2,1-2H3,(H,18,19)/t16-/m1/s1
InChIKeyKIUJIGBLOTVMKI-MRXNPFEDSA-N
MW286.31 g/mol
LogP2.89
Rot. Bonds2

About methyl (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate

methyl (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate (PubChem CID 146430139) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is methyl (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate
PubChem CID146430139
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Namemethyl (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2c(c1)C[C@](C)(c1ccc(F)cc1)N2
InChIInChI=1S/C16H15FN2O2/c1-16(12-3-5-13(17)6-4-12)8-10-7-11(15(20)21-2)9-18-14(10)19-16/h3-7,9H,8H2,1-2H3,(H,18,19)/t16-/m1/s1
InChIKeyKIUJIGBLOTVMKI-MRXNPFEDSA-N
XLogP2.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 146421619
(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride
CID 158178368
methyl 5-(4-fluorophenyl)pyridine-3-carboxylate
CID 22743456
methyl 2-(hydroxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 167714378
CID 170307924
CID 170307924
3-[(3S)-1-[2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
CID 146430135
sodium;hydride;methyl 4-fluorobenzoate
CID 174143193
methyl spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carboxylate
CID 142494934
methyl 1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium-5-carboxylate
CID 58066007
methyl 6-bromo-8-fluoroquinoline-3-carboxylate
CID 138106125
methyl 6-amino-5-[(E)-2-(3-fluorophenyl)prop-1-enyl]pyridine-3-carboxylate
CID 146430162
dimethyl 5-(4-fluorobenzoyl)oxybenzene-1,3-dicarboxylate
CID 8001456

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate?
The IUPAC name of methyl (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate (CID 146430139) is methyl (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for methyl (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate is COC(=O)c1cnc2c(c1)C[C@](C)(c1ccc(F)cc1)N2.
What is the InChIKey of methyl (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate?
The InChIKey is KIUJIGBLOTVMKI-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-16(12-3-5-13(17)6-4-12)8-10-7-11(15(20)21-2)9-18-14(10)19-16/h3-7,9H,8H2,1-2H3,(H,18,19)/t16-/m1/s1.
What are the key properties of methyl (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate?
methyl (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate has a molecular weight of 286.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 146430139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).