(2-bromo-5-chlorophenyl)methyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate

C15H10BrClN2O2 — CID 167959993

IUPAC(2-bromo-5-chlorophenyl)methyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
SMILESO=C(OCc1cc(Cl)ccc1Br)c1ccnc2[nH]ccc12
InChIInChI=1S/C15H10BrClN2O2/c16-13-2-1-10(17)7-9(13)8-21-15(20)12-4-6-19-14-11(12)3-5-18-14/h1-7H,8H2,(H,18,19)
InChIKeyXMWRJNFPMDKYAL-UHFFFAOYSA-N
MW365.61 g/mol
LogP4.34
Rot. Bonds3

About (2-bromo-5-chlorophenyl)methyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate

(2-bromo-5-chlorophenyl)methyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate (PubChem CID 167959993) has the molecular formula C15H10BrClN2O2 and a molecular weight of 365.61 g/mol. Its IUPAC name is (2-bromo-5-chlorophenyl)methyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name(2-bromo-5-chlorophenyl)methyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
PubChem CID167959993
Molecular FormulaC15H10BrClN2O2
Molecular Weight365.61 g/mol
Exact Mass363.96
IUPAC Name(2-bromo-5-chlorophenyl)methyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
SMILESO=C(OCc1cc(Cl)ccc1Br)c1ccnc2[nH]ccc12
InChIInChI=1S/C15H10BrClN2O2/c16-13-2-1-10(17)7-9(13)8-21-15(20)12-4-6-19-14-11(12)3-5-18-14/h1-7H,8H2,(H,18,19)
InChIKeyXMWRJNFPMDKYAL-UHFFFAOYSA-N
XLogP4.34
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-chlorophenyl)methyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate?
The IUPAC name of (2-bromo-5-chlorophenyl)methyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate (CID 167959993) is (2-bromo-5-chlorophenyl)methyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate.
What is the SMILES notation for (2-bromo-5-chlorophenyl)methyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate?
The canonical SMILES for (2-bromo-5-chlorophenyl)methyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate is O=C(OCc1cc(Cl)ccc1Br)c1ccnc2[nH]ccc12.
What is the InChIKey of (2-bromo-5-chlorophenyl)methyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate?
The InChIKey is XMWRJNFPMDKYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O2/c16-13-2-1-10(17)7-9(13)8-21-15(20)12-4-6-19-14-11(12)3-5-18-14/h1-7H,8H2,(H,18,19).
What are the key properties of (2-bromo-5-chlorophenyl)methyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate?
(2-bromo-5-chlorophenyl)methyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate has a molecular weight of 365.61 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-chlorophenyl)methyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate is sourced from PubChem (CID 167959993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).