(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-methylpropan-1-ol

C9H11ClFNO — CID 167267153

IUPAC(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-methylpropan-1-ol
SMILESCC(C)[C@@H](O)c1cc(F)cnc1Cl
InChIInChI=1S/C9H11ClFNO/c1-5(2)8(13)7-3-6(11)4-12-9(7)10/h3-5,8,13H,1-2H3/t8-/m1/s1
InChIKeyYLYMLVSDDOMNLV-MRVPVSSYSA-N
MW203.64 g/mol
LogP2.56
Rot. Bonds2

About (1R)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-methylpropan-1-ol

(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-methylpropan-1-ol (PubChem CID 167267153) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is (1R)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-methylpropan-1-ol
PubChem CID167267153
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-methylpropan-1-ol
SMILESCC(C)[C@@H](O)c1cc(F)cnc1Cl
InChIInChI=1S/C9H11ClFNO/c1-5(2)8(13)7-3-6(11)4-12-9(7)10/h3-5,8,13H,1-2H3/t8-/m1/s1
InChIKeyYLYMLVSDDOMNLV-MRVPVSSYSA-N
XLogP2.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-methylpropan-1-ol?
The IUPAC name of (1R)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-methylpropan-1-ol (CID 167267153) is (1R)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-methylpropan-1-ol.
What is the SMILES notation for (1R)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-methylpropan-1-ol?
The canonical SMILES for (1R)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-methylpropan-1-ol is CC(C)[C@@H](O)c1cc(F)cnc1Cl.
What is the InChIKey of (1R)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-methylpropan-1-ol?
The InChIKey is YLYMLVSDDOMNLV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-5(2)8(13)7-3-6(11)4-12-9(7)10/h3-5,8,13H,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-methylpropan-1-ol?
(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-methylpropan-1-ol has a molecular weight of 203.64 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-methylpropan-1-ol is sourced from PubChem (CID 167267153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).