2-chloro-5-methyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine

C12H9ClN4 — CID 86637341

IUPAC2-chloro-5-methyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine
SMILESCc1cn(-c2ccccn2)c2nc(Cl)ncc12
InChIInChI=1S/C12H9ClN4/c1-8-7-17(10-4-2-3-5-14-10)11-9(8)6-15-12(13)16-11/h2-7H,1H3
InChIKeyQOGHKQDMOFKJQR-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.78
Rot. Bonds1

About 2-chloro-5-methyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine

2-chloro-5-methyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine (PubChem CID 86637341) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 2-chloro-5-methyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine
PubChem CID86637341
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name2-chloro-5-methyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine
SMILESCc1cn(-c2ccccn2)c2nc(Cl)ncc12
InChIInChI=1S/C12H9ClN4/c1-8-7-17(10-4-2-3-5-14-10)11-9(8)6-15-12(13)16-11/h2-7H,1H3
InChIKeyQOGHKQDMOFKJQR-UHFFFAOYSA-N
XLogP2.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-5-methyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine (CID 86637341) is 2-chloro-5-methyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-5-methyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine is Cc1cn(-c2ccccn2)c2nc(Cl)ncc12.
What is the InChIKey of 2-chloro-5-methyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine?
The InChIKey is QOGHKQDMOFKJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c1-8-7-17(10-4-2-3-5-14-10)11-9(8)6-15-12(13)16-11/h2-7H,1H3.
What are the key properties of 2-chloro-5-methyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine?
2-chloro-5-methyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine has a molecular weight of 244.69 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 86637341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).