4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol

C11H14Cl2N2O2 — CID 81130477

IUPAC4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol
SMILESOC1(CNc2ncc(Cl)cc2Cl)CCOCC1
InChIInChI=1S/C11H14Cl2N2O2/c12-8-5-9(13)10(14-6-8)15-7-11(16)1-3-17-4-2-11/h5-6,16H,1-4,7H2,(H,14,15)
InChIKeyYBHJCQGOQABLLV-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.34
Rot. Bonds3

About 4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol

4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol (PubChem CID 81130477) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol
PubChem CID81130477
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol
SMILESOC1(CNc2ncc(Cl)cc2Cl)CCOCC1
InChIInChI=1S/C11H14Cl2N2O2/c12-8-5-9(13)10(14-6-8)15-7-11(16)1-3-17-4-2-11/h5-6,16H,1-4,7H2,(H,14,15)
InChIKeyYBHJCQGOQABLLV-UHFFFAOYSA-N
XLogP2.34
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol with MolForge

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Related Compounds

5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide
CID 133294647
3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 106099483
3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 102975946
1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 79728355
1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 114835960
3,5-dichloro-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]pyridin-2-amine
CID 124847947
5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile
CID 103468844
1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 79728045
3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106102670
5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
CID 103743095
5-bromo-3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
CID 103580341
4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 172899263

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol (CID 81130477) is 4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol is OC1(CNc2ncc(Cl)cc2Cl)CCOCC1.
What is the InChIKey of 4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol?
The InChIKey is YBHJCQGOQABLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c12-8-5-9(13)10(14-6-8)15-7-11(16)1-3-17-4-2-11/h5-6,16H,1-4,7H2,(H,14,15).
What are the key properties of 4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol?
4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol has a molecular weight of 277.15 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 81130477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).