2-(3-pyridin-2-yl-1H-pyrrol-2-yl)pyrimidine

C13H10N4 — CID 141043222

IUPAC2-(3-pyridin-2-yl-1H-pyrrol-2-yl)pyrimidine
SMILESc1ccc(-c2cc[nH]c2-c2ncccn2)nc1
InChIInChI=1S/C13H10N4/c1-2-6-14-11(4-1)10-5-9-15-12(10)13-16-7-3-8-17-13/h1-9,15H
InChIKeyZYAFLGRGXPSPGZ-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.53
Rot. Bonds2

About 2-(3-pyridin-2-yl-1H-pyrrol-2-yl)pyrimidine

2-(3-pyridin-2-yl-1H-pyrrol-2-yl)pyrimidine (PubChem CID 141043222) has the molecular formula C13H10N4 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-(3-pyridin-2-yl-1H-pyrrol-2-yl)pyrimidine.

Molecular Properties

Compound Name2-(3-pyridin-2-yl-1H-pyrrol-2-yl)pyrimidine
PubChem CID141043222
Molecular FormulaC13H10N4
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC Name2-(3-pyridin-2-yl-1H-pyrrol-2-yl)pyrimidine
SMILESc1ccc(-c2cc[nH]c2-c2ncccn2)nc1
InChIInChI=1S/C13H10N4/c1-2-6-14-11(4-1)10-5-9-15-12(10)13-16-7-3-8-17-13/h1-9,15H
InChIKeyZYAFLGRGXPSPGZ-UHFFFAOYSA-N
XLogP2.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyridin-2-yl-1H-pyrrol-2-amine
CID 175906279
3-pyridin-2-yl-1H-pyrrole-2-carboxylic acid
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2-(3-pyridin-2-yl-2-pyridinyl)pyrimidine
CID 175779710
4-pyridin-2-yl-5-pyrimidin-2-ylpyridazine
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2-pyridin-2-ylphenol;hydrate
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2-pyridin-2-ylpyridine;hydroiodide
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2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-2-yl-1H-pyrrol-2-yl)pyrimidine?
The IUPAC name of 2-(3-pyridin-2-yl-1H-pyrrol-2-yl)pyrimidine (CID 141043222) is 2-(3-pyridin-2-yl-1H-pyrrol-2-yl)pyrimidine.
What is the SMILES notation for 2-(3-pyridin-2-yl-1H-pyrrol-2-yl)pyrimidine?
The canonical SMILES for 2-(3-pyridin-2-yl-1H-pyrrol-2-yl)pyrimidine is c1ccc(-c2cc[nH]c2-c2ncccn2)nc1.
What is the InChIKey of 2-(3-pyridin-2-yl-1H-pyrrol-2-yl)pyrimidine?
The InChIKey is ZYAFLGRGXPSPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4/c1-2-6-14-11(4-1)10-5-9-15-12(10)13-16-7-3-8-17-13/h1-9,15H.
What are the key properties of 2-(3-pyridin-2-yl-1H-pyrrol-2-yl)pyrimidine?
2-(3-pyridin-2-yl-1H-pyrrol-2-yl)pyrimidine has a molecular weight of 222.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-2-yl-1H-pyrrol-2-yl)pyrimidine is sourced from PubChem (CID 141043222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).