(3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

C11H11BrClNO3 — CID 107989730

IUPAC(3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(Br)c1)N1CC(O)C(O)C1
InChIInChI=1S/C11H11BrClNO3/c12-7-3-6(1-2-8(7)13)11(17)14-4-9(15)10(16)5-14/h1-3,9-10,15-16H,4-5H2
InChIKeyDDIMYNAVUQAFGL-UHFFFAOYSA-N
MW320.57 g/mol
LogP1.28
Rot. Bonds1

About (3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

(3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (PubChem CID 107989730) has the molecular formula C11H11BrClNO3 and a molecular weight of 320.57 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
PubChem CID107989730
Molecular FormulaC11H11BrClNO3
Molecular Weight320.57 g/mol
Exact Mass318.96
IUPAC Name(3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(Br)c1)N1CC(O)C(O)C1
InChIInChI=1S/C11H11BrClNO3/c12-7-3-6(1-2-8(7)13)11(17)14-4-9(15)10(16)5-14/h1-3,9-10,15-16H,4-5H2
InChIKeyDDIMYNAVUQAFGL-UHFFFAOYSA-N
XLogP1.28
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.57
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-chlorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 113354405
2-[1-(3-bromo-4-chlorobenzoyl)azetidin-3-yl]acetic acid
CID 107997929
(3-bromo-4-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107993546
azocan-1-yl-(3-bromo-4-chlorophenyl)methanone
CID 103841525
(4-amino-3-bromophenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220786
(3-bromo-4-chlorophenyl)-(3-chloropiperidin-1-yl)methanone
CID 107993582
(3S,4S)-1-(3-bromo-4-chlorobenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 128984101
(3-bromo-4-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 102612021
(3-amino-4-methylpiperidin-1-yl)-(3-bromo-4-chlorophenyl)methanone
CID 114024781
(4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646480
(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 103841477
1-(3-bromo-4-chlorobenzoyl)piperidine-3-carbonitrile
CID 114025845

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (CID 107989730) is (3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is O=C(c1ccc(Cl)c(Br)c1)N1CC(O)C(O)C1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The InChIKey is DDIMYNAVUQAFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO3/c12-7-3-6(1-2-8(7)13)11(17)14-4-9(15)10(16)5-14/h1-3,9-10,15-16H,4-5H2.
What are the key properties of (3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
(3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone has a molecular weight of 320.57 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 107989730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).