(3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone

C14H11BrN2O — CID 107517784

IUPAC(3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ncccc1Br)N1CCc2ccccc21
InChIInChI=1S/C14H11BrN2O/c15-11-5-3-8-16-13(11)14(18)17-9-7-10-4-1-2-6-12(10)17/h1-6,8H,7,9H2
InChIKeyMHCMKQKMLNXNML-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.05
Rot. Bonds1

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

(3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 107517784) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is (3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID107517784
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name(3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ncccc1Br)N1CCc2ccccc21
InChIInChI=1S/C14H11BrN2O/c15-11-5-3-8-16-13(11)14(18)17-9-7-10-4-1-2-6-12(10)17/h1-6,8H,7,9H2
InChIKeyMHCMKQKMLNXNML-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-bromo-2-pyridinyl)methanone
CID 107520064
(3-bromo-2-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107517677
(3-bromo-2-pyridinyl)-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)methanone
CID 107519275
(3-bromo-2-pyridinyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107519525
1-(3-bromopyridine-2-carbonyl)imidazolidin-2-one
CID 107518186
(3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 66715242
[4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219561
(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone
CID 171133072
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 83212613
[2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133320455
(4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 80948923
5-(2,3-dihydroindole-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 117214703

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone (CID 107517784) is (3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone is O=C(c1ncccc1Br)N1CCc2ccccc21.
What is the InChIKey of (3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is MHCMKQKMLNXNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-11-5-3-8-16-13(11)14(18)17-9-7-10-4-1-2-6-12(10)17/h1-6,8H,7,9H2.
What are the key properties of (3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone?
(3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 303.16 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 107517784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).