methyl 3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate

C10H8BrClN2O2 — CID 11150844

IUPACmethyl 3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate
SMILESCOC(=O)n1c(C)c(Br)c2c(Cl)ccnc21
InChIInChI=1S/C10H8BrClN2O2/c1-5-8(11)7-6(12)3-4-13-9(7)14(5)10(15)16-2/h3-4H,1-2H3
InChIKeyBMVVKWTWYRKLOJ-UHFFFAOYSA-N
MW303.54 g/mol
LogP3.38
Rot. Bonds

About methyl 3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate

methyl 3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate (PubChem CID 11150844) has the molecular formula C10H8BrClN2O2 and a molecular weight of 303.54 g/mol. Its IUPAC name is methyl 3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate
PubChem CID11150844
Molecular FormulaC10H8BrClN2O2
Molecular Weight303.54 g/mol
Exact Mass301.95
IUPAC Namemethyl 3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate
SMILESCOC(=O)n1c(C)c(Br)c2c(Cl)ccnc21
InChIInChI=1S/C10H8BrClN2O2/c1-5-8(11)7-6(12)3-4-13-9(7)14(5)10(15)16-2/h3-4H,1-2H3
InChIKeyBMVVKWTWYRKLOJ-UHFFFAOYSA-N
XLogP3.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.54
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate?
The IUPAC name of methyl 3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate (CID 11150844) is methyl 3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate.
What is the SMILES notation for methyl 3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate?
The canonical SMILES for methyl 3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate is COC(=O)n1c(C)c(Br)c2c(Cl)ccnc21.
What is the InChIKey of methyl 3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate?
The InChIKey is BMVVKWTWYRKLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O2/c1-5-8(11)7-6(12)3-4-13-9(7)14(5)10(15)16-2/h3-4H,1-2H3.
What are the key properties of methyl 3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate?
methyl 3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate has a molecular weight of 303.54 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate is sourced from PubChem (CID 11150844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).