methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

C9H7ClN2O2 — CID 50989137

IUPACmethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2[nH]ccc2c1Cl
InChIInChI=1S/C9H7ClN2O2/c1-14-9(13)6-4-12-8-5(7(6)10)2-3-11-8/h2-4H,1H3,(H,11,12)
InChIKeyVMEYNNIKJFNFDS-UHFFFAOYSA-N
MW210.62 g/mol
LogP2.00
Rot. Bonds1

About methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (PubChem CID 50989137) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
PubChem CID50989137
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Namemethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2[nH]ccc2c1Cl
InChIInChI=1S/C9H7ClN2O2/c1-14-9(13)6-4-12-8-5(7(6)10)2-3-11-8/h2-4H,1H3,(H,11,12)
InChIKeyVMEYNNIKJFNFDS-UHFFFAOYSA-N
XLogP2.00
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The IUPAC name of methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (CID 50989137) is methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is COC(=O)c1cnc2[nH]ccc2c1Cl.
What is the InChIKey of methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The InChIKey is VMEYNNIKJFNFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-14-9(13)6-4-12-8-5(7(6)10)2-3-11-8/h2-4H,1H3,(H,11,12).
What are the key properties of methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate has a molecular weight of 210.62 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 50989137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).