6-chloro-3-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine

C13H11ClN2O — CID 116837709

IUPAC6-chloro-3-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine
SMILESClc1ccc2c(c1)NC(c1cccnc1)CO2
InChIInChI=1S/C13H11ClN2O/c14-10-3-4-13-11(6-10)16-12(8-17-13)9-2-1-5-15-7-9/h1-7,12,16H,8H2
InChIKeyLQZWSIPEEQDLBH-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.28
Rot. Bonds1

About 6-chloro-3-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine

6-chloro-3-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 116837709) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 6-chloro-3-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-chloro-3-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID116837709
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name6-chloro-3-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine
SMILESClc1ccc2c(c1)NC(c1cccnc1)CO2
InChIInChI=1S/C13H11ClN2O/c14-10-3-4-13-11(6-10)16-12(8-17-13)9-2-1-5-15-7-9/h1-7,12,16H,8H2
InChIKeyLQZWSIPEEQDLBH-UHFFFAOYSA-N
XLogP3.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile
CID 116837632
7-chloro-3-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 101467783
7-chloro-3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 101467782
3-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 116837497
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
6-chloro-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837716
6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114711145
5-chloro-2-formyl-N-(5-oxo-3-pyridin-3-yl-3,4-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-yl)benzenesulfonamide
CID 163695448
4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3811786
3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837257
(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67188141
6-bromo-3-(3,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837284

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-chloro-3-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine (CID 116837709) is 6-chloro-3-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-chloro-3-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-chloro-3-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine is Clc1ccc2c(c1)NC(c1cccnc1)CO2.
What is the InChIKey of 6-chloro-3-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is LQZWSIPEEQDLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-10-3-4-13-11(6-10)16-12(8-17-13)9-2-1-5-15-7-9/h1-7,12,16H,8H2.
What are the key properties of 6-chloro-3-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine?
6-chloro-3-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 246.70 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 116837709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).