methyl 1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridine-2-carboxylate

C14H14F2N2O3 — CID 129223778

IUPACmethyl 1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2ccc(OC(F)F)nc2n1CC1CC1
InChIInChI=1S/C14H14F2N2O3/c1-20-13(19)10-6-9-4-5-11(21-14(15)16)17-12(9)18(10)7-8-2-3-8/h4-6,8,14H,2-3,7H2,1H3
InChIKeyIHEVWQSTMLOWRE-UHFFFAOYSA-N
MW296.27 g/mol
LogP2.83
Rot. Bonds5

About methyl 1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridine-2-carboxylate

methyl 1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridine-2-carboxylate (PubChem CID 129223778) has the molecular formula C14H14F2N2O3 and a molecular weight of 296.27 g/mol. Its IUPAC name is methyl 1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridine-2-carboxylate
PubChem CID129223778
Molecular FormulaC14H14F2N2O3
Molecular Weight296.27 g/mol
Exact Mass296.10
IUPAC Namemethyl 1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2ccc(OC(F)F)nc2n1CC1CC1
InChIInChI=1S/C14H14F2N2O3/c1-20-13(19)10-6-9-4-5-11(21-14(15)16)17-12(9)18(10)7-8-2-3-8/h4-6,8,14H,2-3,7H2,1H3
InChIKeyIHEVWQSTMLOWRE-UHFFFAOYSA-N
XLogP2.83
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridine-2-carboxylate (CID 129223778) is methyl 1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridine-2-carboxylate is COC(=O)c1cc2ccc(OC(F)F)nc2n1CC1CC1.
What is the InChIKey of methyl 1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridine-2-carboxylate?
The InChIKey is IHEVWQSTMLOWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3/c1-20-13(19)10-6-9-4-5-11(21-14(15)16)17-12(9)18(10)7-8-2-3-8/h4-6,8,14H,2-3,7H2,1H3.
What are the key properties of methyl 1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridine-2-carboxylate?
methyl 1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridine-2-carboxylate has a molecular weight of 296.27 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 129223778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).