[(1R,2R)-2-[(3,6-dichloro-2-pyridinyl)amino]cyclopropyl]methanol

C9H10Cl2N2O — CID 130891384

IUPAC[(1R,2R)-2-[(3,6-dichloro-2-pyridinyl)amino]cyclopropyl]methanol
SMILESOC[C@@H]1C[C@H]1Nc1nc(Cl)ccc1Cl
InChIInChI=1S/C9H10Cl2N2O/c10-6-1-2-8(11)13-9(6)12-7-3-5(7)4-14/h1-2,5,7,14H,3-4H2,(H,12,13)/t5-,7+/m0/s1
InChIKeyKAIOAJIGLNWWHX-CAHLUQPWSA-N
MW233.10 g/mol
LogP2.18
Rot. Bonds3

About [(1R,2R)-2-[(3,6-dichloro-2-pyridinyl)amino]cyclopropyl]methanol

[(1R,2R)-2-[(3,6-dichloro-2-pyridinyl)amino]cyclopropyl]methanol (PubChem CID 130891384) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is [(1R,2R)-2-[(3,6-dichloro-2-pyridinyl)amino]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-[(3,6-dichloro-2-pyridinyl)amino]cyclopropyl]methanol
PubChem CID130891384
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name[(1R,2R)-2-[(3,6-dichloro-2-pyridinyl)amino]cyclopropyl]methanol
SMILESOC[C@@H]1C[C@H]1Nc1nc(Cl)ccc1Cl
InChIInChI=1S/C9H10Cl2N2O/c10-6-1-2-8(11)13-9(6)12-7-3-5(7)4-14/h1-2,5,7,14H,3-4H2,(H,12,13)/t5-,7+/m0/s1
InChIKeyKAIOAJIGLNWWHX-CAHLUQPWSA-N
XLogP2.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[(3,6-dichloro-2-pyridinyl)amino]cyclopropyl]methanol?
The IUPAC name of [(1R,2R)-2-[(3,6-dichloro-2-pyridinyl)amino]cyclopropyl]methanol (CID 130891384) is [(1R,2R)-2-[(3,6-dichloro-2-pyridinyl)amino]cyclopropyl]methanol.
What is the SMILES notation for [(1R,2R)-2-[(3,6-dichloro-2-pyridinyl)amino]cyclopropyl]methanol?
The canonical SMILES for [(1R,2R)-2-[(3,6-dichloro-2-pyridinyl)amino]cyclopropyl]methanol is OC[C@@H]1C[C@H]1Nc1nc(Cl)ccc1Cl.
What is the InChIKey of [(1R,2R)-2-[(3,6-dichloro-2-pyridinyl)amino]cyclopropyl]methanol?
The InChIKey is KAIOAJIGLNWWHX-CAHLUQPWSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c10-6-1-2-8(11)13-9(6)12-7-3-5(7)4-14/h1-2,5,7,14H,3-4H2,(H,12,13)/t5-,7+/m0/s1.
What are the key properties of [(1R,2R)-2-[(3,6-dichloro-2-pyridinyl)amino]cyclopropyl]methanol?
[(1R,2R)-2-[(3,6-dichloro-2-pyridinyl)amino]cyclopropyl]methanol has a molecular weight of 233.10 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[(3,6-dichloro-2-pyridinyl)amino]cyclopropyl]methanol is sourced from PubChem (CID 130891384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).