(2-amino-5-chloro-3-pyridinyl)-(4-aminooxolan-3-yl)methanone

C10H12ClN3O2 — CID 116587504

IUPAC(2-amino-5-chloro-3-pyridinyl)-(4-aminooxolan-3-yl)methanone
SMILESNc1ncc(Cl)cc1C(=O)C1COCC1N
InChIInChI=1S/C10H12ClN3O2/c11-5-1-6(10(13)14-2-5)9(15)7-3-16-4-8(7)12/h1-2,7-8H,3-4,12H2,(H2,13,14)
InChIKeyALHVODAORUCKHN-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.47
Rot. Bonds2

About (2-amino-5-chloro-3-pyridinyl)-(4-aminooxolan-3-yl)methanone

(2-amino-5-chloro-3-pyridinyl)-(4-aminooxolan-3-yl)methanone (PubChem CID 116587504) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is (2-amino-5-chloro-3-pyridinyl)-(4-aminooxolan-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-3-pyridinyl)-(4-aminooxolan-3-yl)methanone
PubChem CID116587504
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name(2-amino-5-chloro-3-pyridinyl)-(4-aminooxolan-3-yl)methanone
SMILESNc1ncc(Cl)cc1C(=O)C1COCC1N
InChIInChI=1S/C10H12ClN3O2/c11-5-1-6(10(13)14-2-5)9(15)7-3-16-4-8(7)12/h1-2,7-8H,3-4,12H2,(H2,13,14)
InChIKeyALHVODAORUCKHN-UHFFFAOYSA-N
XLogP0.47
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-aminooxolan-3-yl)-(2,5-dichlorophenyl)methanone
CID 116587500
(4-aminooxolan-3-yl)-(4-amino-3-pyridinyl)methanone
CID 116587384
(2-amino-5-chloro-3-pyridinyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 65407221
(2-amino-5-chloro-3-pyridinyl)-piperidin-2-ylmethanone
CID 116547814
(4-aminooxolan-3-yl)-(5-methyl-3-pyridinyl)methanone
CID 116587515
1-(2-amino-5-chloro-3-pyridinyl)-2-cyclopentylsulfanylethanone
CID 65138738
1-(2-amino-5-chloro-3-pyridinyl)-2-methylprop-2-en-1-one
CID 103446437
1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone
CID 112574914
(2-amino-5-chloro-3-pyridinyl)-(4-methylpiperidin-4-yl)methanone
CID 116567605
1-(2-amino-5-chloro-3-pyridinyl)-2-(cyclopropylmethylamino)ethanone
CID 116557644
(2-amino-5-chloro-3-pyridinyl)-(cyclohepten-1-yl)methanone
CID 103450525
4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one
CID 116553290

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(4-aminooxolan-3-yl)methanone?
The IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(4-aminooxolan-3-yl)methanone (CID 116587504) is (2-amino-5-chloro-3-pyridinyl)-(4-aminooxolan-3-yl)methanone.
What is the SMILES notation for (2-amino-5-chloro-3-pyridinyl)-(4-aminooxolan-3-yl)methanone?
The canonical SMILES for (2-amino-5-chloro-3-pyridinyl)-(4-aminooxolan-3-yl)methanone is Nc1ncc(Cl)cc1C(=O)C1COCC1N.
What is the InChIKey of (2-amino-5-chloro-3-pyridinyl)-(4-aminooxolan-3-yl)methanone?
The InChIKey is ALHVODAORUCKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-5-1-6(10(13)14-2-5)9(15)7-3-16-4-8(7)12/h1-2,7-8H,3-4,12H2,(H2,13,14).
What are the key properties of (2-amino-5-chloro-3-pyridinyl)-(4-aminooxolan-3-yl)methanone?
(2-amino-5-chloro-3-pyridinyl)-(4-aminooxolan-3-yl)methanone has a molecular weight of 241.68 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-3-pyridinyl)-(4-aminooxolan-3-yl)methanone is sourced from PubChem (CID 116587504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).