methyl 6-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate

C10H9ClN2O2 — CID 73013581

IUPACmethyl 6-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate
SMILESCOC(=O)n1c(C)cc2ccc(Cl)nc21
InChIInChI=1S/C10H9ClN2O2/c1-6-5-7-3-4-8(11)12-9(7)13(6)10(14)15-2/h3-5H,1-2H3
InChIKeyWNGRZTFHIUAGNS-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.61
Rot. Bonds

About methyl 6-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate

methyl 6-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate (PubChem CID 73013581) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is methyl 6-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate
PubChem CID73013581
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Namemethyl 6-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate
SMILESCOC(=O)n1c(C)cc2ccc(Cl)nc21
InChIInChI=1S/C10H9ClN2O2/c1-6-5-7-3-4-8(11)12-9(7)13(6)10(14)15-2/h3-5H,1-2H3
InChIKeyWNGRZTFHIUAGNS-UHFFFAOYSA-N
XLogP2.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-2-methyl-1h-pyrrolo[2,3-b]pyridine
CID 21061734
(6-Chloro-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-carbamic acid methyl ester
CID 843193
methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
CID 15013891
Tert-butyl 4-chloro-1,3,11-triazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8-tetraene-11-carboxylate
CID 165788111
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-bromo-4-chloro-2-methyl-, methyl ester
CID 11150844
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-bromo-2-(bromomethyl)-4-chloro-, methyl ester
CID 24905504
2-Chloro-9-(ethoxymethyl)pyrido[2,3-b]indole
CID 50924339
methyl 2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
CID 67155786
6-Chloro-2-[2-(difluoromethyl)-4,5-difluorophenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid
CID 135289733
6-Chloro-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid
CID 135289738
6-Chloro-2-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid
CID 135289743
Tert-butyl 6-chloro-2-[3-(difluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylate
CID 135289749

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate?
The IUPAC name of methyl 6-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate (CID 73013581) is methyl 6-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate.
What is the SMILES notation for methyl 6-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate?
The canonical SMILES for methyl 6-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate is COC(=O)n1c(C)cc2ccc(Cl)nc21.
What is the InChIKey of methyl 6-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate?
The InChIKey is WNGRZTFHIUAGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-6-5-7-3-4-8(11)12-9(7)13(6)10(14)15-2/h3-5H,1-2H3.
What are the key properties of methyl 6-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate?
methyl 6-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate has a molecular weight of 224.65 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate is sourced from PubChem (CID 73013581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).