(2-chloro-3-pyridinyl)-pyridin-2-ylmethanone

C11H7ClN2O — CID 23284547

IUPAC(2-chloro-3-pyridinyl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cccnc1Cl
InChIInChI=1S/C11H7ClN2O/c12-11-8(4-3-7-14-11)10(15)9-5-1-2-6-13-9/h1-7H
InChIKeyORBUBUDJPCHIAY-UHFFFAOYSA-N
MW218.64 g/mol
LogP2.36
Rot. Bonds2

About (2-chloro-3-pyridinyl)-pyridin-2-ylmethanone

(2-chloro-3-pyridinyl)-pyridin-2-ylmethanone (PubChem CID 23284547) has the molecular formula C11H7ClN2O and a molecular weight of 218.64 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-pyridin-2-ylmethanone
PubChem CID23284547
Molecular FormulaC11H7ClN2O
Molecular Weight218.64 g/mol
Exact Mass218.02
IUPAC Name(2-chloro-3-pyridinyl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cccnc1Cl
InChIInChI=1S/C11H7ClN2O/c12-11-8(4-3-7-14-11)10(15)9-5-1-2-6-13-9/h1-7H
InChIKeyORBUBUDJPCHIAY-UHFFFAOYSA-N
XLogP2.36
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-pyridin-2-ylmethanone?
The IUPAC name of (2-chloro-3-pyridinyl)-pyridin-2-ylmethanone (CID 23284547) is (2-chloro-3-pyridinyl)-pyridin-2-ylmethanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-pyridin-2-ylmethanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-pyridin-2-ylmethanone is O=C(c1ccccn1)c1cccnc1Cl.
What is the InChIKey of (2-chloro-3-pyridinyl)-pyridin-2-ylmethanone?
The InChIKey is ORBUBUDJPCHIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O/c12-11-8(4-3-7-14-11)10(15)9-5-1-2-6-13-9/h1-7H.
What are the key properties of (2-chloro-3-pyridinyl)-pyridin-2-ylmethanone?
(2-chloro-3-pyridinyl)-pyridin-2-ylmethanone has a molecular weight of 218.64 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-pyridin-2-ylmethanone is sourced from PubChem (CID 23284547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).