4-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]morpholine

C12H14BrN3O — CID 138491339

IUPAC4-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]morpholine
SMILESBrc1ccnc2[nH]c(CN3CCOCC3)cc12
InChIInChI=1S/C12H14BrN3O/c13-11-1-2-14-12-10(11)7-9(15-12)8-16-3-5-17-6-4-16/h1-2,7H,3-6,8H2,(H,14,15)
InChIKeyHZEHWYWFJAAKOD-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.16
Rot. Bonds2

About 4-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]morpholine

4-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]morpholine (PubChem CID 138491339) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 4-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]morpholine
PubChem CID138491339
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name4-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]morpholine
SMILESBrc1ccnc2[nH]c(CN3CCOCC3)cc12
InChIInChI=1S/C12H14BrN3O/c13-11-1-2-14-12-10(11)7-9(15-12)8-16-3-5-17-6-4-16/h1-2,7H,3-6,8H2,(H,14,15)
InChIKeyHZEHWYWFJAAKOD-UHFFFAOYSA-N
XLogP2.16
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-3,5-difluoro-N,N-dimethylbenzamide
CID 177353455
4-[[4-(4-imidazolidin-1-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine
CID 123807409
4-[(4-chloro-2-pyridinyl)methyl]morpholine
CID 22025268
N-chloro-4-(morpholin-4-ylmethyl)pyridin-2-amine
CID 87380885
[4-(morpholin-4-ylmethyl)-2-pyridinyl]methanol
CID 18799862
4-[(2-tert-butyl-4-pyridinyl)methyl]morpholine
CID 58209224
4-(1H-imidazo[4,5-b]pyrazin-2-ylmethyl)morpholine
CID 3043537
4-[[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]morpholine
CID 58087682
4-[(2-bromo-3-pyridinyl)methyl]morpholine
CID 23438103
6-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 38997261
4-[(4-chloro-6-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine
CID 144861420
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]morpholine?
The IUPAC name of 4-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]morpholine (CID 138491339) is 4-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]morpholine is Brc1ccnc2[nH]c(CN3CCOCC3)cc12.
What is the InChIKey of 4-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]morpholine?
The InChIKey is HZEHWYWFJAAKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c13-11-1-2-14-12-10(11)7-9(15-12)8-16-3-5-17-6-4-16/h1-2,7H,3-6,8H2,(H,14,15).
What are the key properties of 4-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]morpholine?
4-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]morpholine has a molecular weight of 296.17 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]morpholine is sourced from PubChem (CID 138491339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).