5-bromo-2-chloro-1-(methoxymethyl)pyrrolo[2,3-b]pyridine

C9H8BrClN2O — CID 72701093

IUPAC5-bromo-2-chloro-1-(methoxymethyl)pyrrolo[2,3-b]pyridine
SMILESCOCn1c(Cl)cc2cc(Br)cnc21
InChIInChI=1S/C9H8BrClN2O/c1-14-5-13-8(11)3-6-2-7(10)4-12-9(6)13/h2-4H,5H2,1H3
InChIKeyPNNWPEAICBMARU-UHFFFAOYSA-N
MW275.53 g/mol
LogP3.06
Rot. Bonds2

About 5-bromo-2-chloro-1-(methoxymethyl)pyrrolo[2,3-b]pyridine

5-bromo-2-chloro-1-(methoxymethyl)pyrrolo[2,3-b]pyridine (PubChem CID 72701093) has the molecular formula C9H8BrClN2O and a molecular weight of 275.53 g/mol. Its IUPAC name is 5-bromo-2-chloro-1-(methoxymethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-2-chloro-1-(methoxymethyl)pyrrolo[2,3-b]pyridine
PubChem CID72701093
Molecular FormulaC9H8BrClN2O
Molecular Weight275.53 g/mol
Exact Mass273.95
IUPAC Name5-bromo-2-chloro-1-(methoxymethyl)pyrrolo[2,3-b]pyridine
SMILESCOCn1c(Cl)cc2cc(Br)cnc21
InChIInChI=1S/C9H8BrClN2O/c1-14-5-13-8(11)3-6-2-7(10)4-12-9(6)13/h2-4H,5H2,1H3
InChIKeyPNNWPEAICBMARU-UHFFFAOYSA-N
XLogP3.06
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Bromo-4-isopropylphenyl)-6-chloro-4-methyl-7-azaindole
CID 10666432
1-(2-Bromo-4-isopropyl-phenyl)-4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine
CID 10832559
N-methyl-7-azaindole
CID 583068
3-Bromo-1-methyl-7-azaindole
CID 11229587
5-Bromo-3-chloro-1H-pyrrolo[2,3-b]pyridine
CID 45790372
5-Bromo-1-methyl-1H-pyrrolo[2,3-b]pyridine
CID 15296269
1,1-Dimethylethyl 5-bromo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
CID 24229235
5-Bromo-4-chloro-1H-pyrrolo(2,3-b)pyridine
CID 45789788
6-Bromo-3-[(3-chlorophenyl)methyl]-2-propylimidazo[1,2-a]pyridine
CID 51361296
1-(5-bromo-1-butylpyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine
CID 145981198
5-Bromo-1-butyl-3-(piperidin-1-ylmethyl)pyrrolo[2,3-b]pyridine
CID 145984915
1-(5-bromo-1-prop-2-ynylpyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine
CID 145990702

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-1-(methoxymethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-2-chloro-1-(methoxymethyl)pyrrolo[2,3-b]pyridine (CID 72701093) is 5-bromo-2-chloro-1-(methoxymethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-2-chloro-1-(methoxymethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-2-chloro-1-(methoxymethyl)pyrrolo[2,3-b]pyridine is COCn1c(Cl)cc2cc(Br)cnc21.
What is the InChIKey of 5-bromo-2-chloro-1-(methoxymethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is PNNWPEAICBMARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2O/c1-14-5-13-8(11)3-6-2-7(10)4-12-9(6)13/h2-4H,5H2,1H3.
What are the key properties of 5-bromo-2-chloro-1-(methoxymethyl)pyrrolo[2,3-b]pyridine?
5-bromo-2-chloro-1-(methoxymethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 275.53 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-1-(methoxymethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 72701093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).