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

C9H7ClN2O2 — CID 26599236

IUPACmethyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(Cl)nccc2[nH]1
InChIInChI=1S/C9H7ClN2O2/c1-14-9(13)7-4-5-6(12-7)2-3-11-8(5)10/h2-4,12H,1H3
InChIKeyNFEOJQQNFBVATP-UHFFFAOYSA-N
MW210.62 g/mol
LogP2.00
Rot. Bonds1

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

methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate (PubChem CID 26599236) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
PubChem CID26599236
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Namemethyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(Cl)nccc2[nH]1
InChIInChI=1S/C9H7ClN2O2/c1-14-9(13)7-4-5-6(12-7)2-3-11-8(5)10/h2-4,12H,1H3
InChIKeyNFEOJQQNFBVATP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?
The IUPAC name of methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate (CID 26599236) is methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate is COC(=O)c1cc2c(Cl)nccc2[nH]1.
What is the InChIKey of methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?
The InChIKey is NFEOJQQNFBVATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-14-9(13)7-4-5-6(12-7)2-3-11-8(5)10/h2-4,12H,1H3.
What are the key properties of methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate?
methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-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[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 26599236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).