(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone

C16H15ClN2O2 — CID 146173248

IUPAC(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Cl)nc(N2CCOCC2)c1
InChIInChI=1S/C16H15ClN2O2/c17-14-10-13(16(20)12-4-2-1-3-5-12)11-15(18-14)19-6-8-21-9-7-19/h1-5,10-11H,6-9H2
InChIKeyVXKRBSUUBIUKGO-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.80
Rot. Bonds3

About (2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone

(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone (PubChem CID 146173248) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is (2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone.

Molecular Properties

Compound Name(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone
PubChem CID146173248
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Cl)nc(N2CCOCC2)c1
InChIInChI=1S/C16H15ClN2O2/c17-14-10-13(16(20)12-4-2-1-3-5-12)11-15(18-14)19-6-8-21-9-7-19/h1-5,10-11H,6-9H2
InChIKeyVXKRBSUUBIUKGO-UHFFFAOYSA-N
XLogP2.80
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone?
The IUPAC name of (2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone (CID 146173248) is (2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone.
What is the SMILES notation for (2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone?
The canonical SMILES for (2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone is O=C(c1ccccc1)c1cc(Cl)nc(N2CCOCC2)c1.
What is the InChIKey of (2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone?
The InChIKey is VXKRBSUUBIUKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-14-10-13(16(20)12-4-2-1-3-5-12)11-15(18-14)19-6-8-21-9-7-19/h1-5,10-11H,6-9H2.
What are the key properties of (2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone?
(2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone has a molecular weight of 302.76 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-morpholin-4-yl-4-pyridinyl)-phenylmethanone is sourced from PubChem (CID 146173248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).