(5-chloro-3-pyridinyl) 4-methoxy-1H-indole-2-carboxylate

C15H11ClN2O3 — CID 156907340

IUPAC(5-chloro-3-pyridinyl) 4-methoxy-1H-indole-2-carboxylate
SMILESCOc1cccc2[nH]c(C(=O)Oc3cncc(Cl)c3)cc12
InChIInChI=1S/C15H11ClN2O3/c1-20-14-4-2-3-12-11(14)6-13(18-12)15(19)21-10-5-9(16)7-17-8-10/h2-8,18H,1H3
InChIKeyLFMRWHCIESXQIW-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.44
Rot. Bonds3

About (5-chloro-3-pyridinyl) 4-methoxy-1H-indole-2-carboxylate

(5-chloro-3-pyridinyl) 4-methoxy-1H-indole-2-carboxylate (PubChem CID 156907340) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl) 4-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl) 4-methoxy-1H-indole-2-carboxylate
PubChem CID156907340
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name(5-chloro-3-pyridinyl) 4-methoxy-1H-indole-2-carboxylate
SMILESCOc1cccc2[nH]c(C(=O)Oc3cncc(Cl)c3)cc12
InChIInChI=1S/C15H11ClN2O3/c1-20-14-4-2-3-12-11(14)6-13(18-12)15(19)21-10-5-9(16)7-17-8-10/h2-8,18H,1H3
InChIKeyLFMRWHCIESXQIW-UHFFFAOYSA-N
XLogP3.44
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-pyridinyl) 4-methoxy-1H-indole-2-carboxylate?
The IUPAC name of (5-chloro-3-pyridinyl) 4-methoxy-1H-indole-2-carboxylate (CID 156907340) is (5-chloro-3-pyridinyl) 4-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for (5-chloro-3-pyridinyl) 4-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for (5-chloro-3-pyridinyl) 4-methoxy-1H-indole-2-carboxylate is COc1cccc2[nH]c(C(=O)Oc3cncc(Cl)c3)cc12.
What is the InChIKey of (5-chloro-3-pyridinyl) 4-methoxy-1H-indole-2-carboxylate?
The InChIKey is LFMRWHCIESXQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c1-20-14-4-2-3-12-11(14)6-13(18-12)15(19)21-10-5-9(16)7-17-8-10/h2-8,18H,1H3.
What are the key properties of (5-chloro-3-pyridinyl) 4-methoxy-1H-indole-2-carboxylate?
(5-chloro-3-pyridinyl) 4-methoxy-1H-indole-2-carboxylate has a molecular weight of 302.72 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-pyridinyl) 4-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 156907340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).