3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol

C10H14ClN3O2 — CID 106099483

IUPAC3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol
SMILESNc1cnc(NCC2(O)CCOC2)c(Cl)c1
InChIInChI=1S/C10H14ClN3O2/c11-8-3-7(12)4-13-9(8)14-5-10(15)1-2-16-6-10/h3-4,15H,1-2,5-6,12H2,(H,13,14)
InChIKeyUOQABDMVKVMBQC-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.88
Rot. Bonds3

About 3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol

3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol (PubChem CID 106099483) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol
PubChem CID106099483
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol
SMILESNc1cnc(NCC2(O)CCOC2)c(Cl)c1
InChIInChI=1S/C10H14ClN3O2/c11-8-3-7(12)4-13-9(8)14-5-10(15)1-2-16-6-10/h3-4,15H,1-2,5-6,12H2,(H,13,14)
InChIKeyUOQABDMVKVMBQC-UHFFFAOYSA-N
XLogP0.88
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 106099466
3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 102975946
4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol
CID 81130477
3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106102670
5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide
CID 133294647
3-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103341
3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106099400
3-[(2,6-dichloro-4-nitroanilino)methyl]oxolan-3-ol
CID 104918033
5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile
CID 103468844
3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 103847710
3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 114143772
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 106100683

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol (CID 106099483) is 3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol is Nc1cnc(NCC2(O)CCOC2)c(Cl)c1.
What is the InChIKey of 3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol?
The InChIKey is UOQABDMVKVMBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c11-8-3-7(12)4-13-9(8)14-5-10(15)1-2-16-6-10/h3-4,15H,1-2,5-6,12H2,(H,13,14).
What are the key properties of 3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol?
3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol has a molecular weight of 243.69 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106099483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).