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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Related Compounds

ethyl 4-(7-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate
CID 168938358
methyl 4-(3,4-dichlorophenyl)benzoate
CID 18526057
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 4-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)benzoate
CID 165456086
methyl 4-(2-methylpyrimidin-5-yl)benzoate
CID 90375403
methyl 3-chloro-4-methylquinoline-6-carboxylate
CID 67961110
methyl 3,4-dichloroquinoline-6-carboxylate
CID 67773511
methyl 3-chloro-5-(4-methoxycarbonylphenyl)benzoate
CID 75488137
methyl 1-amino-4-chloroisoquinoline-6-carboxylate
CID 118660585
methyl 4-(4-methoxyphthalazin-1-yl)benzoate
CID 23993030
dimethyl 5-(4-methoxycarbonylphenyl)benzene-1,3-dicarboxylate
CID 118103022

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).