4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol

C9H11ClFNO — CID 66047072

IUPAC4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol
SMILESOC(CCCCl)c1cncc(F)c1
InChIInChI=1S/C9H11ClFNO/c10-3-1-2-9(13)7-4-8(11)6-12-5-7/h4-6,9,13H,1-3H2
InChIKeyQSELSZBLEUYOBQ-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.27
Rot. Bonds4

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

4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol (PubChem CID 66047072) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol
PubChem CID66047072
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol
SMILESOC(CCCCl)c1cncc(F)c1
InChIInChI=1S/C9H11ClFNO/c10-3-1-2-9(13)7-4-8(11)6-12-5-7/h4-6,9,13H,1-3H2
InChIKeyQSELSZBLEUYOBQ-UHFFFAOYSA-N
XLogP2.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoro-3-pyridinyl)-3-propoxypropan-1-ol
CID 105080397
1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanol
CID 62551931
1-(5-fluoro-3-pyridinyl)-3-methylidenepentan-1-ol
CID 105110755
(1R)-2-chloro-1-(5-fluoro-3-pyridinyl)ethanol;2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
CID 160825157
(1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol
CID 146430638
2-(azetidin-1-yl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 130667464
2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 103547374
1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanol
CID 105107049
2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 114981178
4-(5-fluoro-3-pyridinyl)pentan-1-ol
CID 177007789
1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 105080417
1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol
CID 66065980

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol?
The IUPAC name of 4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol (CID 66047072) is 4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol.
What is the SMILES notation for 4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol?
The canonical SMILES for 4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol is OC(CCCCl)c1cncc(F)c1.
What is the InChIKey of 4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol?
The InChIKey is QSELSZBLEUYOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c10-3-1-2-9(13)7-4-8(11)6-12-5-7/h4-6,9,13H,1-3H2.
What are the key properties of 4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol?
4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol has a molecular weight of 203.64 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol is sourced from PubChem (CID 66047072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).