(5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-fluorophenyl)methanone

C14H10BrFN2O — CID 70673533

IUPAC(5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)C1CNc2ncc(Br)cc21
InChIInChI=1S/C14H10BrFN2O/c15-9-5-11-12(7-18-14(11)17-6-9)13(19)8-2-1-3-10(16)4-8/h1-6,12H,7H2,(H,17,18)
InChIKeyHQYAHNNSBFCZQC-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.38
Rot. Bonds2

About (5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-fluorophenyl)methanone

(5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-fluorophenyl)methanone (PubChem CID 70673533) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is (5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-fluorophenyl)methanone
PubChem CID70673533
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name(5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)C1CNc2ncc(Br)cc21
InChIInChI=1S/C14H10BrFN2O/c15-9-5-11-12(7-18-14(11)17-6-9)13(19)8-2-1-3-10(16)4-8/h1-6,12H,7H2,(H,17,18)
InChIKeyHQYAHNNSBFCZQC-UHFFFAOYSA-N
XLogP3.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminophenyl)-[5-(4-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 67570581
(5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-chloro-4-hydroxyphenyl)methanone
CID 67571509
[3-(5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-methylphenyl] acetate
CID 67570650
(5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanone
CID 70842425
[5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone
CID 67570653
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
(3-fluorophenyl)-(2-methylcyclopropyl)methanone
CID 65421676
cyclohexyl-(3-fluorophenyl)methanone
CID 24724195
(5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone
CID 67571288
(3-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 114962696
3-fluorobenzoyl bromide
CID 20822510
N-(4-bromo-2-pyridinyl)-3-fluorobenzamide
CID 3011458

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-fluorophenyl)methanone?
The IUPAC name of (5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-fluorophenyl)methanone (CID 70673533) is (5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-fluorophenyl)methanone?
The canonical SMILES for (5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)C1CNc2ncc(Br)cc21.
What is the InChIKey of (5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-fluorophenyl)methanone?
The InChIKey is HQYAHNNSBFCZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c15-9-5-11-12(7-18-14(11)17-6-9)13(19)8-2-1-3-10(16)4-8/h1-6,12H,7H2,(H,17,18).
What are the key properties of (5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-fluorophenyl)methanone?
(5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-fluorophenyl)methanone has a molecular weight of 321.15 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 70673533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).