4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine

C15H14ClF2N — CID 82818474

IUPAC4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine
SMILESCc1ccc(F)c(C(Cl)C(C)c2ccncc2)c1F
InChIInChI=1S/C15H14ClF2N/c1-9-3-4-12(17)13(15(9)18)14(16)10(2)11-5-7-19-8-6-11/h3-8,10,14H,1-2H3
InChIKeyJGRRNAAHGOXPNB-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.75
Rot. Bonds3

About 4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine

4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine (PubChem CID 82818474) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine
PubChem CID82818474
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine
SMILESCc1ccc(F)c(C(Cl)C(C)c2ccncc2)c1F
InChIInChI=1S/C15H14ClF2N/c1-9-3-4-12(17)13(15(9)18)14(16)10(2)11-5-7-19-8-6-11/h3-8,10,14H,1-2H3
InChIKeyJGRRNAAHGOXPNB-UHFFFAOYSA-N
XLogP4.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.75
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

4-[2-chloro-2-(2,6-difluoro-3-methylphenyl)ethyl]pyridine
CID 82818631
4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine
CID 66458948
N-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine
CID 82822617
2-[chloro-(4-propan-2-ylphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82815966
4-[1-chloro-1-(2,4-dimethylphenyl)propan-2-yl]pyridine
CID 66459967
2-[chloro-(4-methylphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82816333
2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82816267
4-[1-chloro-1-(5-chloro-2-iodophenyl)propan-2-yl]pyridine
CID 114029831
4-[1-chloro-1-(5-methylfuran-3-yl)propan-2-yl]pyridine
CID 114823989
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 82814614
(2,6-difluoro-3-methylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 82819933

Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine?
The IUPAC name of 4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine (CID 82818474) is 4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine.
What is the SMILES notation for 4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine?
The canonical SMILES for 4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine is Cc1ccc(F)c(C(Cl)C(C)c2ccncc2)c1F.
What is the InChIKey of 4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine?
The InChIKey is JGRRNAAHGOXPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-9-3-4-12(17)13(15(9)18)14(16)10(2)11-5-7-19-8-6-11/h3-8,10,14H,1-2H3.
What are the key properties of 4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine?
4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine has a molecular weight of 281.73 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-chloro-1-(2,6-difluoro-3-methylphenyl)propan-2-yl]pyridine is sourced from PubChem (CID 82818474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).