(2-chloro-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C15H13ClN2O2 — CID 3470470

IUPAC(2-chloro-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCC1COc2ccccc2N1C(=O)c1cccnc1Cl
InChIInChI=1S/C15H13ClN2O2/c1-10-9-20-13-7-3-2-6-12(13)18(10)15(19)11-5-4-8-17-14(11)16/h2-8,10H,9H2,1H3
InChIKeySMFJPYFKEHUIKZ-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.16
Rot. Bonds1

About (2-chloro-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

(2-chloro-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 3470470) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID3470470
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name(2-chloro-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCC1COc2ccccc2N1C(=O)c1cccnc1Cl
InChIInChI=1S/C15H13ClN2O2/c1-10-9-20-13-7-3-2-6-12(13)18(10)15(19)11-5-4-8-17-14(11)16/h2-8,10H,9H2,1H3
InChIKeySMFJPYFKEHUIKZ-UHFFFAOYSA-N
XLogP3.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.16
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)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 3470470) is (2-chloro-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is CC1COc2ccccc2N1C(=O)c1cccnc1Cl.
What is the InChIKey of (2-chloro-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is SMFJPYFKEHUIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-10-9-20-13-7-3-2-6-12(13)18(10)15(19)11-5-4-8-17-14(11)16/h2-8,10H,9H2,1H3.
What are the key properties of (2-chloro-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
(2-chloro-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 288.73 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 3470470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).