5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoropyridine

C12H8ClF2N — CID 58626672

IUPAC5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoropyridine
SMILESFc1ccc(Cc2cccc(Cl)c2F)cn1
InChIInChI=1S/C12H8ClF2N/c13-10-3-1-2-9(12(10)15)6-8-4-5-11(14)16-7-8/h1-5,7H,6H2
InChIKeyYTHFKOHGNAHONN-UHFFFAOYSA-N
MW239.65 g/mol
LogP3.60
Rot. Bonds2

About 5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoropyridine

5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoropyridine (PubChem CID 58626672) has the molecular formula C12H8ClF2N and a molecular weight of 239.65 g/mol. Its IUPAC name is 5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoropyridine.

Molecular Properties

Compound Name5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoropyridine
PubChem CID58626672
Molecular FormulaC12H8ClF2N
Molecular Weight239.65 g/mol
Exact Mass239.03
IUPAC Name5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoropyridine
SMILESFc1ccc(Cc2cccc(Cl)c2F)cn1
InChIInChI=1S/C12H8ClF2N/c13-10-3-1-2-9(12(10)15)6-8-4-5-11(14)16-7-8/h1-5,7H,6H2
InChIKeyYTHFKOHGNAHONN-UHFFFAOYSA-N
XLogP3.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.65
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloropyrimidine;2-chloro-5-[(3-chloro-2-fluorophenyl)methyl]pyrimidine
CID 162117437
5-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-oxazole
CID 90396876
5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine
CID 82803143
[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82806898
1-chloro-3-(3-chloropropyl)-2-fluorobenzene
CID 53434110
2-butan-2-yl-5-[(3-chloro-2-fluorophenyl)methyl]pyridine;oxan-2-ol
CID 143203376
5-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole
CID 90395034
1-chloro-3-(4-chlorobutyl)-2-fluorobenzene
CID 102862230
2-[5-[(3-chloro-2-fluorophenyl)methyl]-2-pyridinyl]-4-(oxan-2-yloxy)butan-1-ol
CID 58626751
5-[(3,4-difluorophenyl)methyl]-2-fluoropyridine
CID 143473669
1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene
CID 130411639
(1R)-1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431246

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoropyridine?
The IUPAC name of 5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoropyridine (CID 58626672) is 5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoropyridine.
What is the SMILES notation for 5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoropyridine?
The canonical SMILES for 5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoropyridine is Fc1ccc(Cc2cccc(Cl)c2F)cn1.
What is the InChIKey of 5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoropyridine?
The InChIKey is YTHFKOHGNAHONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N/c13-10-3-1-2-9(12(10)15)6-8-4-5-11(14)16-7-8/h1-5,7H,6H2.
What are the key properties of 5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoropyridine?
5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoropyridine has a molecular weight of 239.65 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoropyridine is sourced from PubChem (CID 58626672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).