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

C14H8Cl2N2O2 — CID 155925842

IUPAC(5-chloro-3-pyridinyl) 5-chloro-1H-indole-2-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C14H8Cl2N2O2/c15-9-1-2-12-8(3-9)4-13(18-12)14(19)20-11-5-10(16)6-17-7-11/h1-7,18H
InChIKeyWGTDTRRECQYDFW-UHFFFAOYSA-N
MW307.14 g/mol
LogP4.09
Rot. Bonds2

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

(5-chloro-3-pyridinyl) 5-chloro-1H-indole-2-carboxylate (PubChem CID 155925842) has the molecular formula C14H8Cl2N2O2 and a molecular weight of 307.14 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl) 5-chloro-1H-indole-2-carboxylate.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl) 5-chloro-1H-indole-2-carboxylate
PubChem CID155925842
Molecular FormulaC14H8Cl2N2O2
Molecular Weight307.14 g/mol
Exact Mass306.00
IUPAC Name(5-chloro-3-pyridinyl) 5-chloro-1H-indole-2-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C14H8Cl2N2O2/c15-9-1-2-12-8(3-9)4-13(18-12)14(19)20-11-5-10(16)6-17-7-11/h1-7,18H
InChIKeyWGTDTRRECQYDFW-UHFFFAOYSA-N
XLogP4.09
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-pyridinyl) 5-chloro-1H-indole-2-carboxylate?
The IUPAC name of (5-chloro-3-pyridinyl) 5-chloro-1H-indole-2-carboxylate (CID 155925842) is (5-chloro-3-pyridinyl) 5-chloro-1H-indole-2-carboxylate.
What is the SMILES notation for (5-chloro-3-pyridinyl) 5-chloro-1H-indole-2-carboxylate?
The canonical SMILES for (5-chloro-3-pyridinyl) 5-chloro-1H-indole-2-carboxylate is O=C(Oc1cncc(Cl)c1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of (5-chloro-3-pyridinyl) 5-chloro-1H-indole-2-carboxylate?
The InChIKey is WGTDTRRECQYDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2/c15-9-1-2-12-8(3-9)4-13(18-12)14(19)20-11-5-10(16)6-17-7-11/h1-7,18H.
What are the key properties of (5-chloro-3-pyridinyl) 5-chloro-1H-indole-2-carboxylate?
(5-chloro-3-pyridinyl) 5-chloro-1H-indole-2-carboxylate has a molecular weight of 307.14 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-pyridinyl) 5-chloro-1H-indole-2-carboxylate is sourced from PubChem (CID 155925842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).