pyridin-3-yl(pyrimidin-4-yl)methanone

C10H7N3O — CID 10535520

IUPACpyridin-3-yl(pyrimidin-4-yl)methanone
SMILESO=C(c1cccnc1)c1ccncn1
InChIInChI=1S/C10H7N3O/c14-10(8-2-1-4-11-6-8)9-3-5-12-7-13-9/h1-7H
InChIKeyTVNOUCJOFAILCD-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.10
Rot. Bonds2

About pyridin-3-yl(pyrimidin-4-yl)methanone

pyridin-3-yl(pyrimidin-4-yl)methanone (PubChem CID 10535520) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is pyridin-3-yl(pyrimidin-4-yl)methanone.

Molecular Properties

Compound Namepyridin-3-yl(pyrimidin-4-yl)methanone
PubChem CID10535520
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Namepyridin-3-yl(pyrimidin-4-yl)methanone
SMILESO=C(c1cccnc1)c1ccncn1
InChIInChI=1S/C10H7N3O/c14-10(8-2-1-4-11-6-8)9-3-5-12-7-13-9/h1-7H
InChIKeyTVNOUCJOFAILCD-UHFFFAOYSA-N
XLogP1.10
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl(pyrimidin-4-yl)methanone?
The IUPAC name of pyridin-3-yl(pyrimidin-4-yl)methanone (CID 10535520) is pyridin-3-yl(pyrimidin-4-yl)methanone.
What is the SMILES notation for pyridin-3-yl(pyrimidin-4-yl)methanone?
The canonical SMILES for pyridin-3-yl(pyrimidin-4-yl)methanone is O=C(c1cccnc1)c1ccncn1.
What is the InChIKey of pyridin-3-yl(pyrimidin-4-yl)methanone?
The InChIKey is TVNOUCJOFAILCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c14-10(8-2-1-4-11-6-8)9-3-5-12-7-13-9/h1-7H.
What are the key properties of pyridin-3-yl(pyrimidin-4-yl)methanone?
pyridin-3-yl(pyrimidin-4-yl)methanone has a molecular weight of 185.19 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl(pyrimidin-4-yl)methanone is sourced from PubChem (CID 10535520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).