(5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone

C14H11BrN2O — CID 62229980

IUPAC(5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1cncc(Br)c1)N1Cc2ccccc2C1
InChIInChI=1S/C14H11BrN2O/c15-13-5-12(6-16-7-13)14(18)17-8-10-3-1-2-4-11(10)9-17/h1-7H,8-9H2
InChIKeyLOXZPAQKJOZNOE-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.00
Rot. Bonds1

About (5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone

(5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 62229980) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID62229980
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name(5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1cncc(Br)c1)N1Cc2ccccc2C1
InChIInChI=1S/C14H11BrN2O/c15-13-5-12(6-16-7-13)14(18)17-8-10-3-1-2-4-11(10)9-17/h1-7H,8-9H2
InChIKeyLOXZPAQKJOZNOE-UHFFFAOYSA-N
XLogP3.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106669648
(3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 103826910
1,3-dihydroisoindol-2-yl-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone
CID 62230536
(2-amino-5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 55049058
(5-hydroxy-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63861055
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(5-bromo-3-pyridinyl)methanone;dihydrochloride
CID 120749957
(5-bromo-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63873857
1-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 91819450
5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
CID 2823446
3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226477
3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-phenylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109236023
(5-bromo-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43393801

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone (CID 62229980) is (5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone is O=C(c1cncc(Br)c1)N1Cc2ccccc2C1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is LOXZPAQKJOZNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-13-5-12(6-16-7-13)14(18)17-8-10-3-1-2-4-11(10)9-17/h1-7H,8-9H2.
What are the key properties of (5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone?
(5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 303.16 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 62229980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).