(1R)-2-chloro-1-(5-fluoro-3-pyridinyl)ethanol;2-chloro-1-(5-fluoro-3-pyridinyl)ethanone

C14H12Cl2F2N2O2 — CID 160825157

IUPAC(1R)-2-chloro-1-(5-fluoro-3-pyridinyl)ethanol;2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
SMILESO=C(CCl)c1cncc(F)c1.O[C@@H](CCl)c1cncc(F)c1
InChIInChI=1S/C7H7ClFNO.C7H5ClFNO/c2*8-2-7(11)5-1-6(9)4-10-3-5/h1,3-4,7,11H,2H2;1,3-4H,2H2/t7-;/m0./s1
InChIKeySGBFNOOQGDSLCD-FJXQXJEOSA-N
MW349.16 g/mol
LogP3.14
Rot. Bonds4

About (1R)-2-chloro-1-(5-fluoro-3-pyridinyl)ethanol;2-chloro-1-(5-fluoro-3-pyridinyl)ethanone

(1R)-2-chloro-1-(5-fluoro-3-pyridinyl)ethanol;2-chloro-1-(5-fluoro-3-pyridinyl)ethanone (PubChem CID 160825157) has the molecular formula C14H12Cl2F2N2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is (1R)-2-chloro-1-(5-fluoro-3-pyridinyl)ethanol;2-chloro-1-(5-fluoro-3-pyridinyl)ethanone.

Molecular Properties

Compound Name(1R)-2-chloro-1-(5-fluoro-3-pyridinyl)ethanol;2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
PubChem CID160825157
Molecular FormulaC14H12Cl2F2N2O2
Molecular Weight349.16 g/mol
Exact Mass348.02
IUPAC Name(1R)-2-chloro-1-(5-fluoro-3-pyridinyl)ethanol;2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
SMILESO=C(CCl)c1cncc(F)c1.O[C@@H](CCl)c1cncc(F)c1
InChIInChI=1S/C7H7ClFNO.C7H5ClFNO/c2*8-2-7(11)5-1-6(9)4-10-3-5/h1,3-4,7,11H,2H2;1,3-4H,2H2/t7-;/m0./s1
InChIKeySGBFNOOQGDSLCD-FJXQXJEOSA-N
XLogP3.14
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (1R)-2-chloro-1-(5-fluoro-3-pyridinyl)ethanol;2-chloro-1-(5-fluoro-3-pyridinyl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
CID 104786801
4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol
CID 66047072
4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-one
CID 66046590
3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one
CID 105125350
1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione
CID 114080622
2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone
CID 66142157
1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanol
CID 62551931
1-(5-fluoro-3-pyridinyl)-3-methylidenepentan-1-ol
CID 105110755
1-(5-fluoro-3-pyridinyl)-3-methylbut-3-en-1-one
CID 105112516
2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone
CID 105090104
chloro 5-fluoropyridine-3-carboxylate
CID 174465391
3-[chloro(nitroso)methyl]-5-fluoropyridine
CID 90937906

Frequently Asked Questions

What is the IUPAC name of (1R)-2-chloro-1-(5-fluoro-3-pyridinyl)ethanol;2-chloro-1-(5-fluoro-3-pyridinyl)ethanone?
The IUPAC name of (1R)-2-chloro-1-(5-fluoro-3-pyridinyl)ethanol;2-chloro-1-(5-fluoro-3-pyridinyl)ethanone (CID 160825157) is (1R)-2-chloro-1-(5-fluoro-3-pyridinyl)ethanol;2-chloro-1-(5-fluoro-3-pyridinyl)ethanone.
What is the SMILES notation for (1R)-2-chloro-1-(5-fluoro-3-pyridinyl)ethanol;2-chloro-1-(5-fluoro-3-pyridinyl)ethanone?
The canonical SMILES for (1R)-2-chloro-1-(5-fluoro-3-pyridinyl)ethanol;2-chloro-1-(5-fluoro-3-pyridinyl)ethanone is O=C(CCl)c1cncc(F)c1.O[C@@H](CCl)c1cncc(F)c1.
What is the InChIKey of (1R)-2-chloro-1-(5-fluoro-3-pyridinyl)ethanol;2-chloro-1-(5-fluoro-3-pyridinyl)ethanone?
The InChIKey is SGBFNOOQGDSLCD-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H7ClFNO.C7H5ClFNO/c2*8-2-7(11)5-1-6(9)4-10-3-5/h1,3-4,7,11H,2H2;1,3-4H,2H2/t7-;/m0./s1.
What are the key properties of (1R)-2-chloro-1-(5-fluoro-3-pyridinyl)ethanol;2-chloro-1-(5-fluoro-3-pyridinyl)ethanone?
(1R)-2-chloro-1-(5-fluoro-3-pyridinyl)ethanol;2-chloro-1-(5-fluoro-3-pyridinyl)ethanone has a molecular weight of 349.16 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-chloro-1-(5-fluoro-3-pyridinyl)ethanol;2-chloro-1-(5-fluoro-3-pyridinyl)ethanone is sourced from PubChem (CID 160825157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).