1-(6-chloro-5-methylpyrimidin-4-yl)-2,3-dihydropyrrolo[3,2-b]pyridine

C12H11ClN4 — CID 59566483

IUPAC1-(6-chloro-5-methylpyrimidin-4-yl)-2,3-dihydropyrrolo[3,2-b]pyridine
SMILESCc1c(Cl)ncnc1N1CCc2ncccc21
InChIInChI=1S/C12H11ClN4/c1-8-11(13)15-7-16-12(8)17-6-4-9-10(17)3-2-5-14-9/h2-3,5,7H,4,6H2,1H3
InChIKeySFCZQCYILGFRJW-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.53
Rot. Bonds1

About 1-(6-chloro-5-methylpyrimidin-4-yl)-2,3-dihydropyrrolo[3,2-b]pyridine

1-(6-chloro-5-methylpyrimidin-4-yl)-2,3-dihydropyrrolo[3,2-b]pyridine (PubChem CID 59566483) has the molecular formula C12H11ClN4 and a molecular weight of 246.70 g/mol. Its IUPAC name is 1-(6-chloro-5-methylpyrimidin-4-yl)-2,3-dihydropyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(6-chloro-5-methylpyrimidin-4-yl)-2,3-dihydropyrrolo[3,2-b]pyridine
PubChem CID59566483
Molecular FormulaC12H11ClN4
Molecular Weight246.70 g/mol
Exact Mass246.07
IUPAC Name1-(6-chloro-5-methylpyrimidin-4-yl)-2,3-dihydropyrrolo[3,2-b]pyridine
SMILESCc1c(Cl)ncnc1N1CCc2ncccc21
InChIInChI=1S/C12H11ClN4/c1-8-11(13)15-7-16-12(8)17-6-4-9-10(17)3-2-5-14-9/h2-3,5,7H,4,6H2,1H3
InChIKeySFCZQCYILGFRJW-UHFFFAOYSA-N
XLogP2.53
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-methylpyrimidin-4-yl)-2,3-dihydropyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(6-chloro-5-methylpyrimidin-4-yl)-2,3-dihydropyrrolo[3,2-b]pyridine (CID 59566483) is 1-(6-chloro-5-methylpyrimidin-4-yl)-2,3-dihydropyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(6-chloro-5-methylpyrimidin-4-yl)-2,3-dihydropyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(6-chloro-5-methylpyrimidin-4-yl)-2,3-dihydropyrrolo[3,2-b]pyridine is Cc1c(Cl)ncnc1N1CCc2ncccc21.
What is the InChIKey of 1-(6-chloro-5-methylpyrimidin-4-yl)-2,3-dihydropyrrolo[3,2-b]pyridine?
The InChIKey is SFCZQCYILGFRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4/c1-8-11(13)15-7-16-12(8)17-6-4-9-10(17)3-2-5-14-9/h2-3,5,7H,4,6H2,1H3.
What are the key properties of 1-(6-chloro-5-methylpyrimidin-4-yl)-2,3-dihydropyrrolo[3,2-b]pyridine?
1-(6-chloro-5-methylpyrimidin-4-yl)-2,3-dihydropyrrolo[3,2-b]pyridine has a molecular weight of 246.70 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-methylpyrimidin-4-yl)-2,3-dihydropyrrolo[3,2-b]pyridine is sourced from PubChem (CID 59566483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).