methyl 1-(2-chloropyrrolo[2,3-b]pyridin-1-yl)cyclopentane-1-carboxylate

C14H15ClN2O2 — CID 126970418

IUPACmethyl 1-(2-chloropyrrolo[2,3-b]pyridin-1-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(n2c(Cl)cc3cccnc32)CCCC1
InChIInChI=1S/C14H15ClN2O2/c1-19-13(18)14(6-2-3-7-14)17-11(15)9-10-5-4-8-16-12(10)17/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyXOJGNTGCKDNCCN-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.13
Rot. Bonds2

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

methyl 1-(2-chloropyrrolo[2,3-b]pyridin-1-yl)cyclopentane-1-carboxylate (PubChem CID 126970418) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is methyl 1-(2-chloropyrrolo[2,3-b]pyridin-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-chloropyrrolo[2,3-b]pyridin-1-yl)cyclopentane-1-carboxylate
PubChem CID126970418
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Namemethyl 1-(2-chloropyrrolo[2,3-b]pyridin-1-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(n2c(Cl)cc3cccnc32)CCCC1
InChIInChI=1S/C14H15ClN2O2/c1-19-13(18)14(6-2-3-7-14)17-11(15)9-10-5-4-8-16-12(10)17/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyXOJGNTGCKDNCCN-UHFFFAOYSA-N
XLogP3.13
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-chloropyrrolo[2,3-b]pyridin-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(2-chloropyrrolo[2,3-b]pyridin-1-yl)cyclopentane-1-carboxylate (CID 126970418) is methyl 1-(2-chloropyrrolo[2,3-b]pyridin-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-chloropyrrolo[2,3-b]pyridin-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(2-chloropyrrolo[2,3-b]pyridin-1-yl)cyclopentane-1-carboxylate is COC(=O)C1(n2c(Cl)cc3cccnc32)CCCC1.
What is the InChIKey of methyl 1-(2-chloropyrrolo[2,3-b]pyridin-1-yl)cyclopentane-1-carboxylate?
The InChIKey is XOJGNTGCKDNCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-19-13(18)14(6-2-3-7-14)17-11(15)9-10-5-4-8-16-12(10)17/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of methyl 1-(2-chloropyrrolo[2,3-b]pyridin-1-yl)cyclopentane-1-carboxylate?
methyl 1-(2-chloropyrrolo[2,3-b]pyridin-1-yl)cyclopentane-1-carboxylate has a molecular weight of 278.74 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-chloropyrrolo[2,3-b]pyridin-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 126970418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).