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

C14H12Cl2FNO — CID 112585922

IUPAC1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCCC(O)(c1ccc(Cl)c(Cl)c1)c1ccc(F)cn1
InChIInChI=1S/C14H12Cl2FNO/c1-2-14(19,13-6-4-10(17)8-18-13)9-3-5-11(15)12(16)7-9/h3-8,19H,2H2,1H3
InChIKeyCOJCHRSGOPPYJD-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.17
Rot. Bonds3

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

1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol (PubChem CID 112585922) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
PubChem CID112585922
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCCC(O)(c1ccc(Cl)c(Cl)c1)c1ccc(F)cn1
InChIInChI=1S/C14H12Cl2FNO/c1-2-14(19,13-6-4-10(17)8-18-13)9-3-5-11(15)12(16)7-9/h3-8,19H,2H2,1H3
InChIKeyCOJCHRSGOPPYJD-UHFFFAOYSA-N
XLogP4.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585875
1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585936
1-(5-fluoro-2-pyridinyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol
CID 115940714
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115940730
1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585785
1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol
CID 112585794
1-(5-fluoro-2-pyridinyl)-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 115940675
2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid
CID 112586440
1,1,4,4-tetrakis(3,4-dichlorophenyl)butane-1,4-diol
CID 154188534
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655
1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585919

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol (CID 112585922) is 1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol is CCC(O)(c1ccc(Cl)c(Cl)c1)c1ccc(F)cn1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The InChIKey is COJCHRSGOPPYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-2-14(19,13-6-4-10(17)8-18-13)9-3-5-11(15)12(16)7-9/h3-8,19H,2H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol has a molecular weight of 300.16 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 112585922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).