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

C14H12BrN3O — CID 55049058

IUPAC(2-amino-5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESNc1ncc(Br)cc1C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C14H12BrN3O/c15-11-5-12(13(16)17-6-11)14(19)18-7-9-3-1-2-4-10(9)8-18/h1-6H,7-8H2,(H2,16,17)
InChIKeyFNRVPCPVXKCEQI-UHFFFAOYSA-N
MW318.17 g/mol
LogP2.58
Rot. Bonds1

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

(2-amino-5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 55049058) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID55049058
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name(2-amino-5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESNc1ncc(Br)cc1C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C14H12BrN3O/c15-11-5-12(13(16)17-6-11)14(19)18-7-9-3-1-2-4-10(9)8-18/h1-6H,7-8H2,(H2,16,17)
InChIKeyFNRVPCPVXKCEQI-UHFFFAOYSA-N
XLogP2.58
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone
CID 62185337
(5-bromo-2-iodophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 113232778
(5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62229980
(2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64574911
(2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 62185190
(2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62776114
(2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 110472967
(2-amino-5-bromo-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 55141157
(5-amino-1-methylpyrazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 113288574
(2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968760
(2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63605142
1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81255936

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone (CID 55049058) is (2-amino-5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone is Nc1ncc(Br)cc1C(=O)N1Cc2ccccc2C1.
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is FNRVPCPVXKCEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c15-11-5-12(13(16)17-6-11)14(19)18-7-9-3-1-2-4-10(9)8-18/h1-6H,7-8H2,(H2,16,17).
What are the key properties of (2-amino-5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone?
(2-amino-5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 318.17 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 55049058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).