methyl 4-(7-chloro-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate

C15H11ClN2O2 — CID 168938371

IUPACmethyl 4-(7-chloro-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ncc(Cl)c3[nH]ccc23)cc1
InChIInChI=1S/C15H11ClN2O2/c1-20-15(19)10-4-2-9(3-5-10)13-11-6-7-17-14(11)12(16)8-18-13/h2-8,17H,1H3
InChIKeyPQYBAEBKYFYRDM-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.67
Rot. Bonds2

About methyl 4-(7-chloro-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate

methyl 4-(7-chloro-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate (PubChem CID 168938371) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is methyl 4-(7-chloro-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(7-chloro-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate
PubChem CID168938371
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Namemethyl 4-(7-chloro-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ncc(Cl)c3[nH]ccc23)cc1
InChIInChI=1S/C15H11ClN2O2/c1-20-15(19)10-4-2-9(3-5-10)13-11-6-7-17-14(11)12(16)8-18-13/h2-8,17H,1H3
InChIKeyPQYBAEBKYFYRDM-UHFFFAOYSA-N
XLogP3.67
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(7-chloro-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate?
The IUPAC name of methyl 4-(7-chloro-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate (CID 168938371) is methyl 4-(7-chloro-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate.
What is the SMILES notation for methyl 4-(7-chloro-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate?
The canonical SMILES for methyl 4-(7-chloro-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate is COC(=O)c1ccc(-c2ncc(Cl)c3[nH]ccc23)cc1.
What is the InChIKey of methyl 4-(7-chloro-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate?
The InChIKey is PQYBAEBKYFYRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-20-15(19)10-4-2-9(3-5-10)13-11-6-7-17-14(11)12(16)8-18-13/h2-8,17H,1H3.
What are the key properties of methyl 4-(7-chloro-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate?
methyl 4-(7-chloro-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate has a molecular weight of 286.72 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(7-chloro-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate is sourced from PubChem (CID 168938371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).