methyl 4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

C10H9FN2O2 — CID 123135276

IUPACmethyl 4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2[nH]c(C)cc2c1F
InChIInChI=1S/C10H9FN2O2/c1-5-3-6-8(11)7(10(14)15-2)4-12-9(6)13-5/h3-4H,1-2H3,(H,12,13)
InChIKeyPEOZVQUHEOXCJD-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.80
Rot. Bonds1

About methyl 4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

methyl 4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (PubChem CID 123135276) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is methyl 4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
PubChem CID123135276
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Namemethyl 4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2[nH]c(C)cc2c1F
InChIInChI=1S/C10H9FN2O2/c1-5-3-6-8(11)7(10(14)15-2)4-12-9(6)13-5/h3-4H,1-2H3,(H,12,13)
InChIKeyPEOZVQUHEOXCJD-UHFFFAOYSA-N
XLogP1.80
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
CID 53412446
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CID 103587309
methyl 7-chloro-4-fluoro-1H-indazole-5-carboxylate
CID 155161685
methyl 4-iodo-6-methylpyridine-3-carboxylate
CID 166162841
methyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 130104300
ethane;methyl 6-bromo-2-methyl-1H-indole-4-carboxylate
CID 145305093
methyl 4-chloro-5,6,7-trifluoroquinoline-3-carboxylate
CID 102614483
methyl 6-bromo-5-fluoro-8-methyl-4-(methylamino)quinoline-3-carboxylate
CID 102614924
methyl 5-amino-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylate
CID 69034348
methyl 4,6-dichloro-8-methylquinoline-3-carboxylate
CID 102614436
dimethyl 5-fluoro-2-methylbenzene-1,3-dicarboxylate
CID 10922200
methyl 6-acetyl-4-methylpyridine-3-carboxylate
CID 178165335

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The IUPAC name of methyl 4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (CID 123135276) is methyl 4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is COC(=O)c1cnc2[nH]c(C)cc2c1F.
What is the InChIKey of methyl 4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The InChIKey is PEOZVQUHEOXCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-5-3-6-8(11)7(10(14)15-2)4-12-9(6)13-5/h3-4H,1-2H3,(H,12,13).
What are the key properties of methyl 4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
methyl 4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate has a molecular weight of 208.19 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 123135276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).