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

C15H14Br2N2O2 — CID 112536701

IUPAC(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCc3[nH]c(Br)c(Br)c3C2)c1
InChIInChI=1S/C15H14Br2N2O2/c1-21-10-4-2-3-9(7-10)15(20)19-6-5-12-11(8-19)13(16)14(17)18-12/h2-4,7,18H,5-6,8H2,1H3
InChIKeyRTMOUURNKGMKLB-UHFFFAOYSA-N
MW414.10 g/mol
LogP3.75
Rot. Bonds2

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

(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-methoxyphenyl)methanone (PubChem CID 112536701) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is (2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-methoxyphenyl)methanone
PubChem CID112536701
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCc3[nH]c(Br)c(Br)c3C2)c1
InChIInChI=1S/C15H14Br2N2O2/c1-21-10-4-2-3-9(7-10)15(20)19-6-5-12-11(8-19)13(16)14(17)18-12/h2-4,7,18H,5-6,8H2,1H3
InChIKeyRTMOUURNKGMKLB-UHFFFAOYSA-N
XLogP3.75
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3,4-dimethylphenyl)methanone
CID 112536771
(3-methoxyphenyl)-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 11594688
(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(2-methylphenyl)methanone
CID 112536709
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(2-chlorophenyl)-(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone
CID 112536715
1-(3-methoxybenzoyl)-3,3-dimethylpiperidin-4-one
CID 115269709
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
5-(3-methoxybenzoyl)-N-(2-piperidin-1-ylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874633
(3-bromopiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 80660380
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(3-methoxyphenyl)methanone
CID 69267728
(4-fluorophenyl)-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 4909744

Frequently Asked Questions

What is the IUPAC name of (2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-methoxyphenyl)methanone (CID 112536701) is (2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCc3[nH]c(Br)c(Br)c3C2)c1.
What is the InChIKey of (2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-methoxyphenyl)methanone?
The InChIKey is RTMOUURNKGMKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c1-21-10-4-2-3-9(7-10)15(20)19-6-5-12-11(8-19)13(16)14(17)18-12/h2-4,7,18H,5-6,8H2,1H3.
What are the key properties of (2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-methoxyphenyl)methanone?
(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-methoxyphenyl)methanone has a molecular weight of 414.10 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 112536701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).