ethyl 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylate

C16H11BrF2N2O3 — CID 59704588

IUPACethyl 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2ccncc2c1Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C16H11BrF2N2O3/c1-2-23-16(22)15-14(8-7-20-4-3-13(8)24-15)21-12-6-10(18)9(17)5-11(12)19/h3-7,21H,2H2,1H3
InChIKeyMNOAWBKPDTUECS-UHFFFAOYSA-N
MW397.18 g/mol
LogP4.79
Rot. Bonds4

About ethyl 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylate

ethyl 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylate (PubChem CID 59704588) has the molecular formula C16H11BrF2N2O3 and a molecular weight of 397.18 g/mol. Its IUPAC name is ethyl 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylate
PubChem CID59704588
Molecular FormulaC16H11BrF2N2O3
Molecular Weight397.18 g/mol
Exact Mass395.99
IUPAC Nameethyl 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2ccncc2c1Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C16H11BrF2N2O3/c1-2-23-16(22)15-14(8-7-20-4-3-13(8)24-15)21-12-6-10(18)9(17)5-11(12)19/h3-7,21H,2H2,1H3
InChIKeyMNOAWBKPDTUECS-UHFFFAOYSA-N
XLogP4.79
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.18
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 3-aminofuro[2,3-c]pyridine-2-carboxylate
CID 23731216
Ethyl 3-aminofuro[3,2-c]pyridine-2-carboxylate
CID 23731217
[3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridin-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 25011842
(3-(4-Bromo-2,5-difluorophenylamino)furo[3,2-c]pyridin-2-yl)((r)-3-hydroxypyrrolidin-1-yl)methanone
CID 25011843
3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide
CID 25012017
3-(2-fluoro-4-iodoanilino)-N,N-dimethylfuro[3,2-c]pyridine-2-carboxamide
CID 25012018
[3-(2-Fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-morpholin-4-ylmethanone
CID 25012183
3-(2-fluoro-4-iodoanilino)-N-methylfuro[3,2-c]pyridine-2-carboxamide
CID 25012342
N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
CID 25012343
3-(2-fluoro-4-iodoanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-2-carboxamide
CID 25012346
3-(2-Fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
CID 25013307
3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-N-methylfuro[3,2-c]pyridine-2-carboxamide
CID 25013309

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylate (CID 59704588) is ethyl 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylate is CCOC(=O)c1oc2ccncc2c1Nc1cc(F)c(Br)cc1F.
What is the InChIKey of ethyl 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylate?
The InChIKey is MNOAWBKPDTUECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF2N2O3/c1-2-23-16(22)15-14(8-7-20-4-3-13(8)24-15)21-12-6-10(18)9(17)5-11(12)19/h3-7,21H,2H2,1H3.
What are the key properties of ethyl 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylate?
ethyl 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylate has a molecular weight of 397.18 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 59704588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).