methyl 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate

C9H8ClN3O2 — CID 118997943

IUPACmethyl 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc2cnc(Cl)nc2n1C
InChIInChI=1S/C9H8ClN3O2/c1-13-6(8(14)15-2)3-5-4-11-9(10)12-7(5)13/h3-4H,1-2H3
InChIKeyRRZFQLRKQZCQIP-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.41
Rot. Bonds1

About methyl 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate

methyl 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate (PubChem CID 118997943) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is methyl 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate
PubChem CID118997943
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Namemethyl 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc2cnc(Cl)nc2n1C
InChIInChI=1S/C9H8ClN3O2/c1-13-6(8(14)15-2)3-5-4-11-9(10)12-7(5)13/h3-4H,1-2H3
InChIKeyRRZFQLRKQZCQIP-UHFFFAOYSA-N
XLogP1.41
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-chloro-7-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 129231413
methyl 5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate
CID 67366332
2-chloro-N,7-diethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 137482872
methyl 5-chloro-1-methylindole-2-carboxylate
CID 4777715
2-chloro-7-[2-[[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]amino]ethyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 163513549
methyl 2-chloro-4-methoxypyrimidine-5-carboxylate
CID 71741355
methyl 6-[(2-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate
CID 162683698
methyl 4-(2,5-dichloropyrimidin-4-yl)-1-iodosulfanylpyrrole-2-carboxylate
CID 178056985
cyclopentyl 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 170994601
tert-butyl N-[2-(2-chloro-6-formylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]carbamate
CID 86695605
methyl 4-chloro-1-methylindole-2-carboxylate
CID 4777691
2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 58315427

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate (CID 118997943) is methyl 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1cc2cnc(Cl)nc2n1C.
What is the InChIKey of methyl 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is RRZFQLRKQZCQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c1-13-6(8(14)15-2)3-5-4-11-9(10)12-7(5)13/h3-4H,1-2H3.
What are the key properties of methyl 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate?
methyl 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 225.64 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 118997943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).