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

C14H12BrClN2O — CID 112533950

IUPAC(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCc2[nH]c(Br)cc2C1
InChIInChI=1S/C14H12BrClN2O/c15-13-7-10-8-18(5-4-12(10)17-13)14(19)9-2-1-3-11(16)6-9/h1-3,6-7,17H,4-5,8H2
InChIKeyUVJBJUVGWSSKSQ-UHFFFAOYSA-N
MW339.62 g/mol
LogP3.63
Rot. Bonds1

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

(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-chlorophenyl)methanone (PubChem CID 112533950) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is (2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-chlorophenyl)methanone
PubChem CID112533950
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCc2[nH]c(Br)cc2C1
InChIInChI=1S/C14H12BrClN2O/c15-13-7-10-8-18(5-4-12(10)17-13)14(19)9-2-1-3-11(16)6-9/h1-3,6-7,17H,4-5,8H2
InChIKeyUVJBJUVGWSSKSQ-UHFFFAOYSA-N
XLogP3.63
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chlorophenyl)-(3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-7-yl)methanone
CID 110647111
(3-chlorophenyl)-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone
CID 112535736
7-(3-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476741
(3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750013
5-(3-chlorobenzoyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914413
(6-chloro-7-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-(3-chlorophenyl)methanone
CID 159614505
2-(4-bromophenyl)-1-(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone
CID 112533974
6-(3-chlorobenzoyl)-2-(3-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135622545
5-(3-chlorobenzoyl)-N-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914428
(3-bromophenyl)-[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 53147009
3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110802832
(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106751

Frequently Asked Questions

What is the IUPAC name of (2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-chlorophenyl)methanone?
The IUPAC name of (2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-chlorophenyl)methanone (CID 112533950) is (2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-chlorophenyl)methanone?
The canonical SMILES for (2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-chlorophenyl)methanone is O=C(c1cccc(Cl)c1)N1CCc2[nH]c(Br)cc2C1.
What is the InChIKey of (2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-chlorophenyl)methanone?
The InChIKey is UVJBJUVGWSSKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c15-13-7-10-8-18(5-4-12(10)17-13)14(19)9-2-1-3-11(16)6-9/h1-3,6-7,17H,4-5,8H2.
What are the key properties of (2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-chlorophenyl)methanone?
(2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-chlorophenyl)methanone has a molecular weight of 339.62 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-chlorophenyl)methanone is sourced from PubChem (CID 112533950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).