3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylic acid

C14H7BrF2N2O3 — CID 151410687

IUPAC3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1oc2ccncc2c1Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C14H7BrF2N2O3/c15-7-3-9(17)10(4-8(7)16)19-12-6-5-18-2-1-11(6)22-13(12)14(20)21/h1-5,19H,(H,20,21)
InChIKeyOYLNDKYXUZGGHA-UHFFFAOYSA-N
MW369.12 g/mol
LogP4.31
Rot. Bonds3

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

3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylic acid (PubChem CID 151410687) has the molecular formula C14H7BrF2N2O3 and a molecular weight of 369.12 g/mol. Its IUPAC name is 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylic acid
PubChem CID151410687
Molecular FormulaC14H7BrF2N2O3
Molecular Weight369.12 g/mol
Exact Mass367.96
IUPAC Name3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1oc2ccncc2c1Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C14H7BrF2N2O3/c15-7-3-9(17)10(4-8(7)16)19-12-6-5-18-2-1-11(6)22-13(12)14(20)21/h1-5,19H,(H,20,21)
InChIKeyOYLNDKYXUZGGHA-UHFFFAOYSA-N
XLogP4.31
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.12
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid
CID 69035529
3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
CID 25013474
CID 88885978
CID 88885978
CID 88886020
CID 88886020
3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide
CID 88885981
[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 143636066
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)furo[3,2-c]pyridine-2-carboxamide
CID 143636022
3-(2-fluoro-4-iodoanilino)-N-phenylmethoxyfuro[3,2-c]pyridine-2-carboxamide
CID 25013801
ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol
CID 143636167
3-(4-ethynyl-2-fluoroanilino)furo[3,2-c]pyridine-2-carboxamide;propane-1,3-diol
CID 143636140
N-(2,3-dihydroxypropyl)-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;ethane
CID 143636219
3-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide
CID 59704658

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylic acid (CID 151410687) is 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylic acid is O=C(O)c1oc2ccncc2c1Nc1cc(F)c(Br)cc1F.
What is the InChIKey of 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is OYLNDKYXUZGGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF2N2O3/c15-7-3-9(17)10(4-8(7)16)19-12-6-5-18-2-1-11(6)22-13(12)14(20)21/h1-5,19H,(H,20,21).
What are the key properties of 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylic acid?
3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 369.12 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 151410687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).