6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine

C13H11ClN2O2 — CID 60727080

IUPAC6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
SMILESClc1cccc(Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C13H11ClN2O2/c14-12-2-1-3-13(16-12)15-9-4-5-10-11(8-9)18-7-6-17-10/h1-5,8H,6-7H2,(H,15,16)
InChIKeyHJGAQWLNTRDKSC-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.25
Rot. Bonds2

About 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine

6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine (PubChem CID 60727080) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
PubChem CID60727080
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
SMILESClc1cccc(Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C13H11ClN2O2/c14-12-2-1-3-13(16-12)15-9-4-5-10-11(8-9)18-7-6-17-10/h1-5,8H,6-7H2,(H,15,16)
InChIKeyHJGAQWLNTRDKSC-UHFFFAOYSA-N
XLogP3.25
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridin-2-amine
CID 55027599
6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine
CID 80945775
N-(1,3-benzodioxol-5-yl)-6-hydrazinylpyridin-2-amine
CID 80920460
2-chloro-6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-4-carbonitrile
CID 83077583
4-N-(3-chloro-2-methylphenyl)-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine-4,6-diamine
CID 112878074
3-N-(3-chlorophenyl)-5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazine-3,5-diamine
CID 112965970
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904653
3,5-dichloro-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-methylpyridine-2,6-diamine
CID 102754992
6-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine
CID 63585961
N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 82536030
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-2,4-diamine
CID 112901485
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930640

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine (CID 60727080) is 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine is Clc1cccc(Nc2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine?
The InChIKey is HJGAQWLNTRDKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-12-2-1-3-13(16-12)15-9-4-5-10-11(8-9)18-7-6-17-10/h1-5,8H,6-7H2,(H,15,16).
What are the key properties of 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine?
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine has a molecular weight of 262.70 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine is sourced from PubChem (CID 60727080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).