6-bromo-5-chloro-3-pyridin-2-yl-1H-indole-2-carboxylate

C14H7BrClN2O2- — CID 20541492

IUPAC6-bromo-5-chloro-3-pyridin-2-yl-1H-indole-2-carboxylate
SMILESO=C([O-])c1[nH]c2cc(Br)c(Cl)cc2c1-c1ccccn1
InChIInChI=1S/C14H8BrClN2O2/c15-8-6-11-7(5-9(8)16)12(13(18-11)14(19)20)10-3-1-2-4-17-10/h1-6,18H,(H,19,20)/p-1
InChIKeyMKYDYDMOXYIWLR-UHFFFAOYSA-M
MW350.58 g/mol
LogP3.01
Rot. Bonds2

About 6-bromo-5-chloro-3-pyridin-2-yl-1H-indole-2-carboxylate

6-bromo-5-chloro-3-pyridin-2-yl-1H-indole-2-carboxylate (PubChem CID 20541492) has the molecular formula C14H7BrClN2O2- and a molecular weight of 350.58 g/mol. Its IUPAC name is 6-bromo-5-chloro-3-pyridin-2-yl-1H-indole-2-carboxylate.

Molecular Properties

Compound Name6-bromo-5-chloro-3-pyridin-2-yl-1H-indole-2-carboxylate
PubChem CID20541492
Molecular FormulaC14H7BrClN2O2-
Molecular Weight350.58 g/mol
Exact Mass348.94
IUPAC Name6-bromo-5-chloro-3-pyridin-2-yl-1H-indole-2-carboxylate
SMILESO=C([O-])c1[nH]c2cc(Br)c(Cl)cc2c1-c1ccccn1
InChIInChI=1S/C14H8BrClN2O2/c15-8-6-11-7(5-9(8)16)12(13(18-11)14(19)20)10-3-1-2-4-17-10/h1-6,18H,(H,19,20)/p-1
InChIKeyMKYDYDMOXYIWLR-UHFFFAOYSA-M
XLogP3.01
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-chloro-3-pyridin-2-yl-1H-indole-2-carboxylate?
The IUPAC name of 6-bromo-5-chloro-3-pyridin-2-yl-1H-indole-2-carboxylate (CID 20541492) is 6-bromo-5-chloro-3-pyridin-2-yl-1H-indole-2-carboxylate.
What is the SMILES notation for 6-bromo-5-chloro-3-pyridin-2-yl-1H-indole-2-carboxylate?
The canonical SMILES for 6-bromo-5-chloro-3-pyridin-2-yl-1H-indole-2-carboxylate is O=C([O-])c1[nH]c2cc(Br)c(Cl)cc2c1-c1ccccn1.
What is the InChIKey of 6-bromo-5-chloro-3-pyridin-2-yl-1H-indole-2-carboxylate?
The InChIKey is MKYDYDMOXYIWLR-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H8BrClN2O2/c15-8-6-11-7(5-9(8)16)12(13(18-11)14(19)20)10-3-1-2-4-17-10/h1-6,18H,(H,19,20)/p-1.
What are the key properties of 6-bromo-5-chloro-3-pyridin-2-yl-1H-indole-2-carboxylate?
6-bromo-5-chloro-3-pyridin-2-yl-1H-indole-2-carboxylate has a molecular weight of 350.58 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-chloro-3-pyridin-2-yl-1H-indole-2-carboxylate is sourced from PubChem (CID 20541492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).