2-[1-chloro-1-(furan-3-yl)propan-2-yl]pyridine

C12H12ClNO — CID 66459402

IUPAC2-[1-chloro-1-(furan-3-yl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Cl)c1ccoc1
InChIInChI=1S/C12H12ClNO/c1-9(11-4-2-3-6-14-11)12(13)10-5-7-15-8-10/h2-9,12H,1H3
InChIKeyRBQSKXUOTHKZMB-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.76
Rot. Bonds3

About 2-[1-chloro-1-(furan-3-yl)propan-2-yl]pyridine

2-[1-chloro-1-(furan-3-yl)propan-2-yl]pyridine (PubChem CID 66459402) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-[1-chloro-1-(furan-3-yl)propan-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-chloro-1-(furan-3-yl)propan-2-yl]pyridine
PubChem CID66459402
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name2-[1-chloro-1-(furan-3-yl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Cl)c1ccoc1
InChIInChI=1S/C12H12ClNO/c1-9(11-4-2-3-6-14-11)12(13)10-5-7-15-8-10/h2-9,12H,1H3
InChIKeyRBQSKXUOTHKZMB-UHFFFAOYSA-N
XLogP3.76
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-chloro-1-(4-methylsulfanylphenyl)propan-2-yl]pyridine
CID 79206044
2-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine
CID 66459396
2-[1-chloro-1-(2,3,4-trifluorophenyl)propan-2-yl]pyridine
CID 79757736
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
2-[1-chloro-1-(2,4,6-trifluorophenyl)propan-2-yl]pyridine
CID 66460615
2-[1-chloro-1-(2,3-dichlorophenyl)propan-2-yl]pyridine
CID 66461007
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
CID 28766943
N-methyl-1-phenyl-2-pyridin-2-ylpropan-1-amine
CID 66447604
1-(5-chlorofuran-2-yl)-2-pyridin-2-ylpropan-1-ol
CID 106690716
chloro(pyridin-2-yl)methanamine
CID 22075524
2-(3-chloro-4-methylsulfonylpentan-2-yl)pyridine
CID 104522952

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-1-(furan-3-yl)propan-2-yl]pyridine?
The IUPAC name of 2-[1-chloro-1-(furan-3-yl)propan-2-yl]pyridine (CID 66459402) is 2-[1-chloro-1-(furan-3-yl)propan-2-yl]pyridine.
What is the SMILES notation for 2-[1-chloro-1-(furan-3-yl)propan-2-yl]pyridine?
The canonical SMILES for 2-[1-chloro-1-(furan-3-yl)propan-2-yl]pyridine is CC(c1ccccn1)C(Cl)c1ccoc1.
What is the InChIKey of 2-[1-chloro-1-(furan-3-yl)propan-2-yl]pyridine?
The InChIKey is RBQSKXUOTHKZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-9(11-4-2-3-6-14-11)12(13)10-5-7-15-8-10/h2-9,12H,1H3.
What are the key properties of 2-[1-chloro-1-(furan-3-yl)propan-2-yl]pyridine?
2-[1-chloro-1-(furan-3-yl)propan-2-yl]pyridine has a molecular weight of 221.69 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-1-(furan-3-yl)propan-2-yl]pyridine is sourced from PubChem (CID 66459402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).