(2R)-2-[(1S)-1-amino-1-(6-chloro-3-fluoro-2-pyridinyl)-2-fluoroethyl]cyclopropan-1-ol

C10H11ClF2N2O — CID 90441806

IUPAC(2R)-2-[(1S)-1-amino-1-(6-chloro-3-fluoro-2-pyridinyl)-2-fluoroethyl]cyclopropan-1-ol
SMILESN[C@](CF)(c1nc(Cl)ccc1F)[C@H]1CC1O
InChIInChI=1S/C10H11ClF2N2O/c11-8-2-1-6(13)9(15-8)10(14,4-12)5-3-7(5)16/h1-2,5,7,16H,3-4,14H2/t5-,7?,10-/m0/s1
InChIKeyDOYZSWCJOIMMDM-VRBQQETQSA-N
MW248.66 g/mol
LogP1.38
Rot. Bonds3

About (2R)-2-[(1S)-1-amino-1-(6-chloro-3-fluoro-2-pyridinyl)-2-fluoroethyl]cyclopropan-1-ol

(2R)-2-[(1S)-1-amino-1-(6-chloro-3-fluoro-2-pyridinyl)-2-fluoroethyl]cyclopropan-1-ol (PubChem CID 90441806) has the molecular formula C10H11ClF2N2O and a molecular weight of 248.66 g/mol. Its IUPAC name is (2R)-2-[(1S)-1-amino-1-(6-chloro-3-fluoro-2-pyridinyl)-2-fluoroethyl]cyclopropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(1S)-1-amino-1-(6-chloro-3-fluoro-2-pyridinyl)-2-fluoroethyl]cyclopropan-1-ol
PubChem CID90441806
Molecular FormulaC10H11ClF2N2O
Molecular Weight248.66 g/mol
Exact Mass248.05
IUPAC Name(2R)-2-[(1S)-1-amino-1-(6-chloro-3-fluoro-2-pyridinyl)-2-fluoroethyl]cyclopropan-1-ol
SMILESN[C@](CF)(c1nc(Cl)ccc1F)[C@H]1CC1O
InChIInChI=1S/C10H11ClF2N2O/c11-8-2-1-6(13)9(15-8)10(14,4-12)5-3-7(5)16/h1-2,5,7,16H,3-4,14H2/t5-,7?,10-/m0/s1
InChIKeyDOYZSWCJOIMMDM-VRBQQETQSA-N
XLogP1.38
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.66
LogP ≤ 51.38
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 (2R)-2-[(1S)-1-amino-1-(6-chloro-3-fluoro-2-pyridinyl)-2-fluoroethyl]cyclopropan-1-ol?
The IUPAC name of (2R)-2-[(1S)-1-amino-1-(6-chloro-3-fluoro-2-pyridinyl)-2-fluoroethyl]cyclopropan-1-ol (CID 90441806) is (2R)-2-[(1S)-1-amino-1-(6-chloro-3-fluoro-2-pyridinyl)-2-fluoroethyl]cyclopropan-1-ol.
What is the SMILES notation for (2R)-2-[(1S)-1-amino-1-(6-chloro-3-fluoro-2-pyridinyl)-2-fluoroethyl]cyclopropan-1-ol?
The canonical SMILES for (2R)-2-[(1S)-1-amino-1-(6-chloro-3-fluoro-2-pyridinyl)-2-fluoroethyl]cyclopropan-1-ol is N[C@](CF)(c1nc(Cl)ccc1F)[C@H]1CC1O.
What is the InChIKey of (2R)-2-[(1S)-1-amino-1-(6-chloro-3-fluoro-2-pyridinyl)-2-fluoroethyl]cyclopropan-1-ol?
The InChIKey is DOYZSWCJOIMMDM-VRBQQETQSA-N. The full InChI is InChI=1S/C10H11ClF2N2O/c11-8-2-1-6(13)9(15-8)10(14,4-12)5-3-7(5)16/h1-2,5,7,16H,3-4,14H2/t5-,7?,10-/m0/s1.
What are the key properties of (2R)-2-[(1S)-1-amino-1-(6-chloro-3-fluoro-2-pyridinyl)-2-fluoroethyl]cyclopropan-1-ol?
(2R)-2-[(1S)-1-amino-1-(6-chloro-3-fluoro-2-pyridinyl)-2-fluoroethyl]cyclopropan-1-ol has a molecular weight of 248.66 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1-amino-1-(6-chloro-3-fluoro-2-pyridinyl)-2-fluoroethyl]cyclopropan-1-ol is sourced from PubChem (CID 90441806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).