2-(3-chloropentan-2-yl)-3-fluoropyridine

C10H13ClFN — CID 63560055

IUPAC2-(3-chloropentan-2-yl)-3-fluoropyridine
SMILESCCC(Cl)C(C)c1ncccc1F
InChIInChI=1S/C10H13ClFN/c1-3-8(11)7(2)10-9(12)5-4-6-13-10/h4-8H,3H2,1-2H3
InChIKeyAVGBGVQWNAZTAQ-UHFFFAOYSA-N
MW201.67 g/mol
LogP3.34
Rot. Bonds3

About 2-(3-chloropentan-2-yl)-3-fluoropyridine

2-(3-chloropentan-2-yl)-3-fluoropyridine (PubChem CID 63560055) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 2-(3-chloropentan-2-yl)-3-fluoropyridine.

Molecular Properties

Compound Name2-(3-chloropentan-2-yl)-3-fluoropyridine
PubChem CID63560055
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name2-(3-chloropentan-2-yl)-3-fluoropyridine
SMILESCCC(Cl)C(C)c1ncccc1F
InChIInChI=1S/C10H13ClFN/c1-3-8(11)7(2)10-9(12)5-4-6-13-10/h4-8H,3H2,1-2H3
InChIKeyAVGBGVQWNAZTAQ-UHFFFAOYSA-N
XLogP3.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-(3-chloropentan-2-yl)pyridine
CID 63561029
(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 53487490
3-ethyl-1-(3-fluoro-2-pyridinyl)pentan-1-ol
CID 82920139
(2R)-1-[1-(3-fluoro-2-pyridinyl)propylamino]butan-2-ol
CID 169261775
2-(3-fluoro-2-pyridinyl)propanoic acid
CID 91647505
2-(3-fluoro-2-pyridinyl)pentanoic acid
CID 104571993
2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid
CID 104571788
ethane;5-ethylpyridine-2-carbonitrile;3-fluoro-2-propan-2-ylpyridine
CID 169235790
3-fluoro-2-methylpyridine;propane
CID 171848252
3-amino-1-(3-fluoro-2-pyridinyl)propan-1-ol
CID 84653760
3-fluoro-2-(1,2,2,2-tetrafluoroethyl)pyridine
CID 23236381
2,2-difluoro-1-(3-fluoro-2-pyridinyl)ethanol
CID 131499215

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropentan-2-yl)-3-fluoropyridine?
The IUPAC name of 2-(3-chloropentan-2-yl)-3-fluoropyridine (CID 63560055) is 2-(3-chloropentan-2-yl)-3-fluoropyridine.
What is the SMILES notation for 2-(3-chloropentan-2-yl)-3-fluoropyridine?
The canonical SMILES for 2-(3-chloropentan-2-yl)-3-fluoropyridine is CCC(Cl)C(C)c1ncccc1F.
What is the InChIKey of 2-(3-chloropentan-2-yl)-3-fluoropyridine?
The InChIKey is AVGBGVQWNAZTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-3-8(11)7(2)10-9(12)5-4-6-13-10/h4-8H,3H2,1-2H3.
What are the key properties of 2-(3-chloropentan-2-yl)-3-fluoropyridine?
2-(3-chloropentan-2-yl)-3-fluoropyridine has a molecular weight of 201.67 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropentan-2-yl)-3-fluoropyridine is sourced from PubChem (CID 63560055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).