methyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate

C9H7FN2O2 — CID 123135144

IUPACmethyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2c(F)c[nH]c2c1
InChIInChI=1S/C9H7FN2O2/c1-14-9(13)5-2-7-8(12-3-5)6(10)4-11-7/h2-4,11H,1H3
InChIKeyDXTPJTHVBFDXDZ-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.49
Rot. Bonds1

About methyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate

methyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate (PubChem CID 123135144) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is methyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
PubChem CID123135144
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Namemethyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2c(F)c[nH]c2c1
InChIInChI=1S/C9H7FN2O2/c1-14-9(13)5-2-7-8(12-3-5)6(10)4-11-7/h2-4,11H,1H3
InChIKeyDXTPJTHVBFDXDZ-UHFFFAOYSA-N
XLogP1.49
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate
CID 135396956
methyl 1H-imidazo[4,5-b]pyridine-6-carboxylate
CID 71433321
methyl 6-bromo-8-fluoroquinoline-3-carboxylate
CID 138106125
ethane;methyl 3-chloro-8-fluoroquinoline-6-carboxylate
CID 145002118
methyl 7-(difluoromethyl)-8-methyl-6-oxo-5H-1,5-naphthyridine-3-carboxylate
CID 168856661
methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
CID 53412446
methyl 5-fluoro-6-isocyanopyridine-3-carboxylate
CID 171417527
methyl 7-(4-bromo-3-fluorophenyl)-8-fluoro-5H-pyrido[3,2-b]indole-3-carboxylate
CID 140868992
methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate
CID 102544528
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
methyl 3-ethyl-2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylate
CID 168900268
methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate
CID 23204634

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate?
The IUPAC name of methyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate (CID 123135144) is methyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate is COC(=O)c1cnc2c(F)c[nH]c2c1.
What is the InChIKey of methyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate?
The InChIKey is DXTPJTHVBFDXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c1-14-9(13)5-2-7-8(12-3-5)6(10)4-11-7/h2-4,11H,1H3.
What are the key properties of methyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate?
methyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate has a molecular weight of 194.16 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate is sourced from PubChem (CID 123135144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).