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

C11H13Cl3N2O — CID 102750873

IUPAC3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine
SMILESClc1cc(Cl)c(NCC2CCCOC2)nc1Cl
InChIInChI=1S/C11H13Cl3N2O/c12-8-4-9(13)11(16-10(8)14)15-5-7-2-1-3-17-6-7/h4,7H,1-3,5-6H2,(H,15,16)
InChIKeyRQHDBYOIHUURNK-UHFFFAOYSA-N
MW295.60 g/mol
LogP3.88
Rot. Bonds3

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

3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine (PubChem CID 102750873) has the molecular formula C11H13Cl3N2O and a molecular weight of 295.60 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine
PubChem CID102750873
Molecular FormulaC11H13Cl3N2O
Molecular Weight295.60 g/mol
Exact Mass294.01
IUPAC Name3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine
SMILESClc1cc(Cl)c(NCC2CCCOC2)nc1Cl
InChIInChI=1S/C11H13Cl3N2O/c12-8-4-9(13)11(16-10(8)14)15-5-7-2-1-3-17-6-7/h4,7H,1-3,5-6H2,(H,15,16)
InChIKeyRQHDBYOIHUURNK-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
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-chloro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813611
3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 102750847
3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 61020967
3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 102750819
3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 114835731
6-chloro-2-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,5-diamine
CID 59374572
3-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 102751364
2,6-dichloro-N-(oxan-3-ylmethyl)aniline
CID 65469527
2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine
CID 130686313
[2-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 102751354
3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 102750821
5-bromo-2-chloro-N-(oxan-3-ylmethyl)aniline
CID 63740223

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine (CID 102750873) is 3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine is Clc1cc(Cl)c(NCC2CCCOC2)nc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine?
The InChIKey is RQHDBYOIHUURNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3N2O/c12-8-4-9(13)11(16-10(8)14)15-5-7-2-1-3-17-6-7/h4,7H,1-3,5-6H2,(H,15,16).
What are the key properties of 3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine?
3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine has a molecular weight of 295.60 g/mol, XLogP of 3.88, 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-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 102750873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).