(2-chlorophenyl)-(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone

C14H11Br2ClN2O — CID 112536715

IUPAC(2-chlorophenyl)-(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CCc2[nH]c(Br)c(Br)c2C1
InChIInChI=1S/C14H11Br2ClN2O/c15-12-9-7-19(6-5-11(9)18-13(12)16)14(20)8-3-1-2-4-10(8)17/h1-4,18H,5-7H2
InChIKeyPUQGOUHKGPEOAV-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.39
Rot. Bonds1

About (2-chlorophenyl)-(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone

(2-chlorophenyl)-(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone (PubChem CID 112536715) has the molecular formula C14H11Br2ClN2O and a molecular weight of 418.52 g/mol. Its IUPAC name is (2-chlorophenyl)-(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone
PubChem CID112536715
Molecular FormulaC14H11Br2ClN2O
Molecular Weight418.52 g/mol
Exact Mass415.89
IUPAC Name(2-chlorophenyl)-(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CCc2[nH]c(Br)c(Br)c2C1
InChIInChI=1S/C14H11Br2ClN2O/c15-12-9-7-19(6-5-11(9)18-13(12)16)14(20)8-3-1-2-4-10(8)17/h1-4,18H,5-7H2
InChIKeyPUQGOUHKGPEOAV-UHFFFAOYSA-N
XLogP4.39
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(2-methylphenyl)methanone
CID 112536709
(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3,4-dimethylphenyl)methanone
CID 112536771
(2-chlorophenyl)-(12-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)methanone
CID 46843289
(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-methoxyphenyl)methanone
CID 112536701
1-(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-2-(2-fluorophenyl)ethanone
CID 112536743
(2-chlorophenyl)-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750151
1-(2-chlorobenzoyl)piperidin-4-one
CID 24693065
1-(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-3-methylbutan-1-one
CID 112536673
(2-chlorofuran-3-yl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 106686229
1-(2-chlorobenzoyl)azepan-4-one
CID 84581173
(8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-fluorophenyl)methanone
CID 32854805
(7-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone
CID 113089789

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone (CID 112536715) is (2-chlorophenyl)-(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone is O=C(c1ccccc1Cl)N1CCc2[nH]c(Br)c(Br)c2C1.
What is the InChIKey of (2-chlorophenyl)-(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone?
The InChIKey is PUQGOUHKGPEOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClN2O/c15-12-9-7-19(6-5-11(9)18-13(12)16)14(20)8-3-1-2-4-10(8)17/h1-4,18H,5-7H2.
What are the key properties of (2-chlorophenyl)-(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone?
(2-chlorophenyl)-(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone has a molecular weight of 418.52 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 112536715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).