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

C14H11Br2FN2O — CID 112536702

IUPAC(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)n1c(Br)c(Br)c2c1CCNC2
InChIInChI=1S/C14H11Br2FN2O/c15-12-10-7-18-5-4-11(10)19(13(12)16)14(20)8-2-1-3-9(17)6-8/h1-3,6,18H,4-5,7H2
InChIKeyQPWWJUXSXULAIF-UHFFFAOYSA-N
MW402.06 g/mol
LogP3.49
Rot. Bonds1

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

(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-(3-fluorophenyl)methanone (PubChem CID 112536702) has the molecular formula C14H11Br2FN2O and a molecular weight of 402.06 g/mol. Its IUPAC name is (2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-(3-fluorophenyl)methanone
PubChem CID112536702
Molecular FormulaC14H11Br2FN2O
Molecular Weight402.06 g/mol
Exact Mass399.92
IUPAC Name(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)n1c(Br)c(Br)c2c1CCNC2
InChIInChI=1S/C14H11Br2FN2O/c15-12-10-7-18-5-4-11(10)19(13(12)16)14(20)8-2-1-3-9(17)6-8/h1-3,6,18H,4-5,7H2
InChIKeyQPWWJUXSXULAIF-UHFFFAOYSA-N
XLogP3.49
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.06
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-pyridin-2-ylmethanone
CID 112536790
1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-phenylethanone
CID 112536718
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
3-fluorobenzoyl bromide
CID 20822510
5-amino-3-(3-fluorobenzoyl)-1-methylbenzimidazol-2-one
CID 110721681
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
(2-bromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-pyridin-4-ylmethanone
CID 112534037
[(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone
CID 178076386
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750

Frequently Asked Questions

What is the IUPAC name of (2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-(3-fluorophenyl)methanone?
The IUPAC name of (2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-(3-fluorophenyl)methanone (CID 112536702) is (2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-(3-fluorophenyl)methanone?
The canonical SMILES for (2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)n1c(Br)c(Br)c2c1CCNC2.
What is the InChIKey of (2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-(3-fluorophenyl)methanone?
The InChIKey is QPWWJUXSXULAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FN2O/c15-12-10-7-18-5-4-11(10)19(13(12)16)14(20)8-2-1-3-9(17)6-8/h1-3,6,18H,4-5,7H2.
What are the key properties of (2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-(3-fluorophenyl)methanone?
(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-(3-fluorophenyl)methanone has a molecular weight of 402.06 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 112536702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).