methyl 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylate

C14H11ClN2O2S — CID 178158184

IUPACmethyl 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2ccc3ncc(Cl)cc32)s1
InChIInChI=1S/C14H11ClN2O2S/c1-19-14(18)13-3-2-10(20-13)8-17-5-4-11-12(17)6-9(15)7-16-11/h2-7H,8H2,1H3
InChIKeyKEIFZSKIPRLNNU-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.59
Rot. Bonds3

About methyl 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylate

methyl 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylate (PubChem CID 178158184) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is methyl 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylate
PubChem CID178158184
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Namemethyl 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2ccc3ncc(Cl)cc32)s1
InChIInChI=1S/C14H11ClN2O2S/c1-19-14(18)13-3-2-10(20-13)8-17-5-4-11-12(17)6-9(15)7-16-11/h2-7H,8H2,1H3
InChIKeyKEIFZSKIPRLNNU-UHFFFAOYSA-N
XLogP3.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylate (CID 178158184) is methyl 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylate is COC(=O)c1ccc(Cn2ccc3ncc(Cl)cc32)s1.
What is the InChIKey of methyl 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylate?
The InChIKey is KEIFZSKIPRLNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-19-14(18)13-3-2-10(20-13)8-17-5-4-11-12(17)6-9(15)7-16-11/h2-7H,8H2,1H3.
What are the key properties of methyl 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylate?
methyl 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylate has a molecular weight of 306.77 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylate is sourced from PubChem (CID 178158184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).