4-[1-chloro-1-(5-methylfuran-3-yl)propan-2-yl]pyridine

C13H14ClNO — CID 114823989

IUPAC4-[1-chloro-1-(5-methylfuran-3-yl)propan-2-yl]pyridine
SMILESCc1cc(C(Cl)C(C)c2ccncc2)co1
InChIInChI=1S/C13H14ClNO/c1-9-7-12(8-16-9)13(14)10(2)11-3-5-15-6-4-11/h3-8,10,13H,1-2H3
InChIKeyDXWIBRAWUKEVLG-UHFFFAOYSA-N
MW235.71 g/mol
LogP4.07
Rot. Bonds3

About 4-[1-chloro-1-(5-methylfuran-3-yl)propan-2-yl]pyridine

4-[1-chloro-1-(5-methylfuran-3-yl)propan-2-yl]pyridine (PubChem CID 114823989) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 4-[1-chloro-1-(5-methylfuran-3-yl)propan-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-chloro-1-(5-methylfuran-3-yl)propan-2-yl]pyridine
PubChem CID114823989
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name4-[1-chloro-1-(5-methylfuran-3-yl)propan-2-yl]pyridine
SMILESCc1cc(C(Cl)C(C)c2ccncc2)co1
InChIInChI=1S/C13H14ClNO/c1-9-7-12(8-16-9)13(14)10(2)11-3-5-15-6-4-11/h3-8,10,13H,1-2H3
InChIKeyDXWIBRAWUKEVLG-UHFFFAOYSA-N
XLogP4.07
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 54.07
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

4-[1-chloro-1-(3-methylphenyl)propan-2-yl]pyridine
CID 66459346
4-[1-(1,3-benzodioxol-5-yl)-1-chloropropan-2-yl]pyridine
CID 66461171
4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine
CID 66458948
4-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine
CID 66460565
4-[1-chloro-1-(2,4-dimethylphenyl)propan-2-yl]pyridine
CID 66459967
4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine
CID 66459760
4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine
CID 82818474
4-[1-chloro-1-(5-chloro-2-iodophenyl)propan-2-yl]pyridine
CID 114029831
1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine
CID 66447737
4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
CID 66461765
1-(5-methylfuran-3-yl)ethanol
CID 112692743
4-[1-chloro-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-yl]pyridine
CID 66459149

Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-1-(5-methylfuran-3-yl)propan-2-yl]pyridine?
The IUPAC name of 4-[1-chloro-1-(5-methylfuran-3-yl)propan-2-yl]pyridine (CID 114823989) is 4-[1-chloro-1-(5-methylfuran-3-yl)propan-2-yl]pyridine.
What is the SMILES notation for 4-[1-chloro-1-(5-methylfuran-3-yl)propan-2-yl]pyridine?
The canonical SMILES for 4-[1-chloro-1-(5-methylfuran-3-yl)propan-2-yl]pyridine is Cc1cc(C(Cl)C(C)c2ccncc2)co1.
What is the InChIKey of 4-[1-chloro-1-(5-methylfuran-3-yl)propan-2-yl]pyridine?
The InChIKey is DXWIBRAWUKEVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-9-7-12(8-16-9)13(14)10(2)11-3-5-15-6-4-11/h3-8,10,13H,1-2H3.
What are the key properties of 4-[1-chloro-1-(5-methylfuran-3-yl)propan-2-yl]pyridine?
4-[1-chloro-1-(5-methylfuran-3-yl)propan-2-yl]pyridine has a molecular weight of 235.71 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-chloro-1-(5-methylfuran-3-yl)propan-2-yl]pyridine is sourced from PubChem (CID 114823989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).