(3-amino-5-bromofuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone

C14H8BrFN2O2 — CID 54582032

IUPAC(3-amino-5-bromofuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(F)cc2)oc2ncc(Br)cc12
InChIInChI=1S/C14H8BrFN2O2/c15-8-5-10-11(17)13(20-14(10)18-6-8)12(19)7-1-3-9(16)4-2-7/h1-6H,17H2
InChIKeyNNBNMPPAGAVHJJ-UHFFFAOYSA-N
MW335.13 g/mol
LogP3.54
Rot. Bonds2

About (3-amino-5-bromofuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone

(3-amino-5-bromofuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone (PubChem CID 54582032) has the molecular formula C14H8BrFN2O2 and a molecular weight of 335.13 g/mol. Its IUPAC name is (3-amino-5-bromofuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-bromofuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone
PubChem CID54582032
Molecular FormulaC14H8BrFN2O2
Molecular Weight335.13 g/mol
Exact Mass333.98
IUPAC Name(3-amino-5-bromofuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(F)cc2)oc2ncc(Br)cc12
InChIInChI=1S/C14H8BrFN2O2/c15-8-5-10-11(17)13(20-14(10)18-6-8)12(19)7-1-3-9(16)4-2-7/h1-6H,17H2
InChIKeyNNBNMPPAGAVHJJ-UHFFFAOYSA-N
XLogP3.54
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.13
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)(4-bromophenyl)methanone
CID 951305
(3-Amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)(4-fluorophenyl)methanone
CID 778172
(3-Amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)(2,4-difluorophenyl)methanone
CID 44224178
5-Bromo-2-(4-fluorophenyl)furo[2,3-b]pyridine
CID 59233714
3-amino-N-[(E)-(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide
CID 127027984
3-amino-N-[(E)-(4-bromophenyl)methylideneamino]-6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide
CID 145961251
5-Bromo-2-phenylfuro[2,3-b]pyridine
CID 12027793
[3-Amino-5-bromo-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl](phenyl)methanone
CID 6501395
Ethyl 3-Aminofuro[2,3-b]pyridine-2-carboxylate
CID 21353881
N-(2-carbamoyl-6-fluoro-1-benzofuran-3-yl)-6-phenoxypyridine-3-carboxamide
CID 11326763
(3-Amino-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-2-yl)-[4-(trifluoromethyl)pyridin-3-yl]methanone
CID 11462567
3-[(4-Fluorobenzoyl)amino]furo[2,3-b]pyridine-2-carboxamide
CID 16124051

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromofuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (3-amino-5-bromofuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone (CID 54582032) is (3-amino-5-bromofuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (3-amino-5-bromofuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (3-amino-5-bromofuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone is Nc1c(C(=O)c2ccc(F)cc2)oc2ncc(Br)cc12.
What is the InChIKey of (3-amino-5-bromofuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone?
The InChIKey is NNBNMPPAGAVHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O2/c15-8-5-10-11(17)13(20-14(10)18-6-8)12(19)7-1-3-9(16)4-2-7/h1-6H,17H2.
What are the key properties of (3-amino-5-bromofuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone?
(3-amino-5-bromofuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone has a molecular weight of 335.13 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-bromofuro[2,3-b]pyridin-2-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 54582032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).