3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine

C11H13Cl3N2O — CID 102750819

IUPAC3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine
SMILESClc1cc(Cl)c(NCC2CCCCO2)nc1Cl
InChIInChI=1S/C11H13Cl3N2O/c12-8-5-9(13)11(16-10(8)14)15-6-7-3-1-2-4-17-7/h5,7H,1-4,6H2,(H,15,16)
InChIKeyHTBAWNSYVQXNIQ-UHFFFAOYSA-N
MW295.60 g/mol
LogP4.02
Rot. Bonds3

About 3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine

3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine (PubChem CID 102750819) has the molecular formula C11H13Cl3N2O and a molecular weight of 295.60 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine
PubChem CID102750819
Molecular FormulaC11H13Cl3N2O
Molecular Weight295.60 g/mol
Exact Mass294.01
IUPAC Name3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine
SMILESClc1cc(Cl)c(NCC2CCCCO2)nc1Cl
InChIInChI=1S/C11H13Cl3N2O/c12-8-5-9(13)11(16-10(8)14)15-6-7-3-1-2-4-17-7/h5,7H,1-4,6H2,(H,15,16)
InChIKeyHTBAWNSYVQXNIQ-UHFFFAOYSA-N
XLogP4.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.60
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103580137
[2-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 102751354
3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 102750873
3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 102750821
3,6-dichloro-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 81037138
4-bromo-2,6-dichloro-N-(oxan-2-ylmethyl)aniline
CID 43591868
2,5-dichloro-4-methyl-N-(oxan-2-ylmethyl)aniline
CID 104726778
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935
4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124585342
3,5-dichloro-6-N-(1,4-dioxan-2-ylmethyl)-2-N-ethylpyridine-2,6-diamine
CID 102756439
3,5-dichloro-N-(1,4-dioxan-2-ylmethyl)-6-hydrazinylpyridin-2-amine
CID 102761703
4-chloro-6-(oxan-2-ylmethylamino)pyrimidine-5-carbaldehyde
CID 66366535

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine (CID 102750819) is 3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine is Clc1cc(Cl)c(NCC2CCCCO2)nc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine?
The InChIKey is HTBAWNSYVQXNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3N2O/c12-8-5-9(13)11(16-10(8)14)15-6-7-3-1-2-4-17-7/h5,7H,1-4,6H2,(H,15,16).
What are the key properties of 3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine?
3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine has a molecular weight of 295.60 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 102750819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).