1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol

C13H12ClFN2O — CID 83125074

IUPAC1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
SMILESCC(O)(Cc1ccncc1Cl)c1ccc(F)cn1
InChIInChI=1S/C13H12ClFN2O/c1-13(18,12-3-2-10(15)7-17-12)6-9-4-5-16-8-11(9)14/h2-5,7-8,18H,6H2,1H3
InChIKeyDWHRQMXUUSBTNA-UHFFFAOYSA-N
MW266.70 g/mol
LogP2.72
Rot. Bonds3

About 1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol

1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol (PubChem CID 83125074) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
PubChem CID83125074
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
SMILESCC(O)(Cc1ccncc1Cl)c1ccc(F)cn1
InChIInChI=1S/C13H12ClFN2O/c1-13(18,12-3-2-10(15)7-17-12)6-9-4-5-16-8-11(9)14/h2-5,7-8,18H,6H2,1H3
InChIKeyDWHRQMXUUSBTNA-UHFFFAOYSA-N
XLogP2.72
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol (CID 83125074) is 1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol is CC(O)(Cc1ccncc1Cl)c1ccc(F)cn1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol?
The InChIKey is DWHRQMXUUSBTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-13(18,12-3-2-10(15)7-17-12)6-9-4-5-16-8-11(9)14/h2-5,7-8,18H,6H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol?
1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol has a molecular weight of 266.70 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 83125074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).