(5-chloro-3-pyridinyl)-pyrimidin-5-ylmethanone

C10H6ClN3O — CID 131142428

IUPAC(5-chloro-3-pyridinyl)-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)c1cncc(Cl)c1
InChIInChI=1S/C10H6ClN3O/c11-9-1-7(2-12-5-9)10(15)8-3-13-6-14-4-8/h1-6H
InChIKeyKZAZECUKRYEEKR-UHFFFAOYSA-N
MW219.63 g/mol
LogP1.76
Rot. Bonds2

About (5-chloro-3-pyridinyl)-pyrimidin-5-ylmethanone

(5-chloro-3-pyridinyl)-pyrimidin-5-ylmethanone (PubChem CID 131142428) has the molecular formula C10H6ClN3O and a molecular weight of 219.63 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl)-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl)-pyrimidin-5-ylmethanone
PubChem CID131142428
Molecular FormulaC10H6ClN3O
Molecular Weight219.63 g/mol
Exact Mass219.02
IUPAC Name(5-chloro-3-pyridinyl)-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)c1cncc(Cl)c1
InChIInChI=1S/C10H6ClN3O/c11-9-1-7(2-12-5-9)10(15)8-3-13-6-14-4-8/h1-6H
InChIKeyKZAZECUKRYEEKR-UHFFFAOYSA-N
XLogP1.76
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-pyridinyl)-pyrimidin-5-ylmethanone?
The IUPAC name of (5-chloro-3-pyridinyl)-pyrimidin-5-ylmethanone (CID 131142428) is (5-chloro-3-pyridinyl)-pyrimidin-5-ylmethanone.
What is the SMILES notation for (5-chloro-3-pyridinyl)-pyrimidin-5-ylmethanone?
The canonical SMILES for (5-chloro-3-pyridinyl)-pyrimidin-5-ylmethanone is O=C(c1cncnc1)c1cncc(Cl)c1.
What is the InChIKey of (5-chloro-3-pyridinyl)-pyrimidin-5-ylmethanone?
The InChIKey is KZAZECUKRYEEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O/c11-9-1-7(2-12-5-9)10(15)8-3-13-6-14-4-8/h1-6H.
What are the key properties of (5-chloro-3-pyridinyl)-pyrimidin-5-ylmethanone?
(5-chloro-3-pyridinyl)-pyrimidin-5-ylmethanone has a molecular weight of 219.63 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-pyridinyl)-pyrimidin-5-ylmethanone is sourced from PubChem (CID 131142428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).