2-(4-bromo-2,5-difluorophenyl)furo[2,3-c]pyridin-3-amine

C13H7BrF2N2O — CID 90298562

IUPAC2-(4-bromo-2,5-difluorophenyl)furo[2,3-c]pyridin-3-amine
SMILESNc1c(-c2cc(F)c(Br)cc2F)oc2cnccc12
InChIInChI=1S/C13H7BrF2N2O/c14-8-4-9(15)7(3-10(8)16)13-12(17)6-1-2-18-5-11(6)19-13/h1-5H,17H2
InChIKeyZXJCUEIGACRVLB-UHFFFAOYSA-N
MW325.11 g/mol
LogP4.12
Rot. Bonds1

About 2-(4-bromo-2,5-difluorophenyl)furo[2,3-c]pyridin-3-amine

2-(4-bromo-2,5-difluorophenyl)furo[2,3-c]pyridin-3-amine (PubChem CID 90298562) has the molecular formula C13H7BrF2N2O and a molecular weight of 325.11 g/mol. Its IUPAC name is 2-(4-bromo-2,5-difluorophenyl)furo[2,3-c]pyridin-3-amine.

Molecular Properties

Compound Name2-(4-bromo-2,5-difluorophenyl)furo[2,3-c]pyridin-3-amine
PubChem CID90298562
Molecular FormulaC13H7BrF2N2O
Molecular Weight325.11 g/mol
Exact Mass323.97
IUPAC Name2-(4-bromo-2,5-difluorophenyl)furo[2,3-c]pyridin-3-amine
SMILESNc1c(-c2cc(F)c(Br)cc2F)oc2cnccc12
InChIInChI=1S/C13H7BrF2N2O/c14-8-4-9(15)7(3-10(8)16)13-12(17)6-1-2-18-5-11(6)19-13/h1-5H,17H2
InChIKeyZXJCUEIGACRVLB-UHFFFAOYSA-N
XLogP4.12
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.11
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
N3-(2-Bromo-4-fluorophenyl) furo[2,3-c] pyridine-2,3-diamine
CID 86581859
N3-(3-Bromo-4-methylphenyl) furo[2,3-c] pyridine-2,3-diamine
CID 86582008
N3-(3-Bromo-4-fluorophenyl) furo[2,3-c]pyridine-2,3-diamine
CID 86582166
5-Fluoro-N3-(4-fluorophenyl) furo[2,3-c] pyridine-2,3-diamine
CID 117698772
N3-(3-Bromo-4,5-difluorophenyl) furo[2,3-c] pyridine-2,3-diamine
CID 117704824
N3-(3,4-Difluoro-phenyl)furo [2,3-c] pyridine-2,3-diamine
CID 117704831
N3-(4-Bromophenyl) furo[2,3-c]pyridine-2,3-diamine
CID 117704838
N3-(3,4-difluoro-phenyl)-5-fluorofuro [2,3-c] pyridine-2,3-diamine
CID 117704875
N3-(3-(1,1-Difluoroethyl)-4-fluorophenyl) furo[2,3-c] pyridine-2,3-diamine
CID 118894404
2-Phenylfuro[3,2-b]pyridine
CID 10987164
N3-(2,4,5-Trifluoro-phenyl)furo [2,3-c] pyridine-2,3-diamine
CID 86581861

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-difluorophenyl)furo[2,3-c]pyridin-3-amine?
The IUPAC name of 2-(4-bromo-2,5-difluorophenyl)furo[2,3-c]pyridin-3-amine (CID 90298562) is 2-(4-bromo-2,5-difluorophenyl)furo[2,3-c]pyridin-3-amine.
What is the SMILES notation for 2-(4-bromo-2,5-difluorophenyl)furo[2,3-c]pyridin-3-amine?
The canonical SMILES for 2-(4-bromo-2,5-difluorophenyl)furo[2,3-c]pyridin-3-amine is Nc1c(-c2cc(F)c(Br)cc2F)oc2cnccc12.
What is the InChIKey of 2-(4-bromo-2,5-difluorophenyl)furo[2,3-c]pyridin-3-amine?
The InChIKey is ZXJCUEIGACRVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2N2O/c14-8-4-9(15)7(3-10(8)16)13-12(17)6-1-2-18-5-11(6)19-13/h1-5H,17H2.
What are the key properties of 2-(4-bromo-2,5-difluorophenyl)furo[2,3-c]pyridin-3-amine?
2-(4-bromo-2,5-difluorophenyl)furo[2,3-c]pyridin-3-amine has a molecular weight of 325.11 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-difluorophenyl)furo[2,3-c]pyridin-3-amine is sourced from PubChem (CID 90298562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).