5-(7-chloro-4-methoxy-1H-indol-5-yl)pyridin-3-ol

C14H11ClN2O2 — CID 131970977

IUPAC5-(7-chloro-4-methoxy-1H-indol-5-yl)pyridin-3-ol
SMILESCOc1c(-c2cncc(O)c2)cc(Cl)c2[nH]ccc12
InChIInChI=1S/C14H11ClN2O2/c1-19-14-10-2-3-17-13(10)12(15)5-11(14)8-4-9(18)7-16-6-8/h2-7,17-18H,1H3
InChIKeyVVOLSQMDJKCYLJ-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.60
Rot. Bonds2

About 5-(7-chloro-4-methoxy-1H-indol-5-yl)pyridin-3-ol

5-(7-chloro-4-methoxy-1H-indol-5-yl)pyridin-3-ol (PubChem CID 131970977) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 5-(7-chloro-4-methoxy-1H-indol-5-yl)pyridin-3-ol.

Molecular Properties

Compound Name5-(7-chloro-4-methoxy-1H-indol-5-yl)pyridin-3-ol
PubChem CID131970977
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name5-(7-chloro-4-methoxy-1H-indol-5-yl)pyridin-3-ol
SMILESCOc1c(-c2cncc(O)c2)cc(Cl)c2[nH]ccc12
InChIInChI=1S/C14H11ClN2O2/c1-19-14-10-2-3-17-13(10)12(15)5-11(14)8-4-9(18)7-16-6-8/h2-7,17-18H,1H3
InChIKeyVVOLSQMDJKCYLJ-UHFFFAOYSA-N
XLogP3.60
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-4-methoxy-1H-indol-5-yl)pyridin-3-ol?
The IUPAC name of 5-(7-chloro-4-methoxy-1H-indol-5-yl)pyridin-3-ol (CID 131970977) is 5-(7-chloro-4-methoxy-1H-indol-5-yl)pyridin-3-ol.
What is the SMILES notation for 5-(7-chloro-4-methoxy-1H-indol-5-yl)pyridin-3-ol?
The canonical SMILES for 5-(7-chloro-4-methoxy-1H-indol-5-yl)pyridin-3-ol is COc1c(-c2cncc(O)c2)cc(Cl)c2[nH]ccc12.
What is the InChIKey of 5-(7-chloro-4-methoxy-1H-indol-5-yl)pyridin-3-ol?
The InChIKey is VVOLSQMDJKCYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-19-14-10-2-3-17-13(10)12(15)5-11(14)8-4-9(18)7-16-6-8/h2-7,17-18H,1H3.
What are the key properties of 5-(7-chloro-4-methoxy-1H-indol-5-yl)pyridin-3-ol?
5-(7-chloro-4-methoxy-1H-indol-5-yl)pyridin-3-ol has a molecular weight of 274.71 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-4-methoxy-1H-indol-5-yl)pyridin-3-ol is sourced from PubChem (CID 131970977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).