3-(chloromethyl)-2,6-bis(2-fluorophenyl)pyridine

C18H12ClF2N — CID 131869939

IUPAC3-(chloromethyl)-2,6-bis(2-fluorophenyl)pyridine
SMILESFc1ccccc1-c1ccc(CCl)c(-c2ccccc2F)n1
InChIInChI=1S/C18H12ClF2N/c19-11-12-9-10-17(13-5-1-3-7-15(13)20)22-18(12)14-6-2-4-8-16(14)21/h1-10H,11H2
InChIKeyHLHOLJZESFXDFF-UHFFFAOYSA-N
MW315.75 g/mol
LogP5.43
Rot. Bonds3

About 3-(chloromethyl)-2,6-bis(2-fluorophenyl)pyridine

3-(chloromethyl)-2,6-bis(2-fluorophenyl)pyridine (PubChem CID 131869939) has the molecular formula C18H12ClF2N and a molecular weight of 315.75 g/mol. Its IUPAC name is 3-(chloromethyl)-2,6-bis(2-fluorophenyl)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2,6-bis(2-fluorophenyl)pyridine
PubChem CID131869939
Molecular FormulaC18H12ClF2N
Molecular Weight315.75 g/mol
Exact Mass315.06
IUPAC Name3-(chloromethyl)-2,6-bis(2-fluorophenyl)pyridine
SMILESFc1ccccc1-c1ccc(CCl)c(-c2ccccc2F)n1
InChIInChI=1S/C18H12ClF2N/c19-11-12-9-10-17(13-5-1-3-7-15(13)20)22-18(12)14-6-2-4-8-16(14)21/h1-10H,11H2
InChIKeyHLHOLJZESFXDFF-UHFFFAOYSA-N
XLogP5.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.75
LogP ≤ 55.43
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

2,6-bis(2-fluorophenyl)-3-iodopyridine
CID 46313592
4-(chloromethyl)-2,3-bis(2-fluorophenyl)pyridine
CID 131869976
[2,6-bis(2,3-difluorophenyl)-3-pyridinyl]methanol
CID 133093712
[6-(2-fluorophenyl)-2-methoxy-3-pyridinyl]methanamine
CID 84695528
2-(2-fluorophenyl)quinoline
CID 11622684
3-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 141313385
4-chloro-2-[2-(fluoromethyl)phenyl]-6-(2-fluorophenyl)pyrimidine
CID 88943269
2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131870387
2-(2-fluorophenyl)-3-[[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine
CID 132518641
4-(chloromethyl)-5-(2-fluorophenyl)-2-iodo-1,3-thiazole
CID 133055279
2-(2-fluorophenyl)-1,8-naphthyridine
CID 3290795
2-[6-(2-fluorophenyl)-2-pyridinyl]ethanol
CID 117001694

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2,6-bis(2-fluorophenyl)pyridine?
The IUPAC name of 3-(chloromethyl)-2,6-bis(2-fluorophenyl)pyridine (CID 131869939) is 3-(chloromethyl)-2,6-bis(2-fluorophenyl)pyridine.
What is the SMILES notation for 3-(chloromethyl)-2,6-bis(2-fluorophenyl)pyridine?
The canonical SMILES for 3-(chloromethyl)-2,6-bis(2-fluorophenyl)pyridine is Fc1ccccc1-c1ccc(CCl)c(-c2ccccc2F)n1.
What is the InChIKey of 3-(chloromethyl)-2,6-bis(2-fluorophenyl)pyridine?
The InChIKey is HLHOLJZESFXDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N/c19-11-12-9-10-17(13-5-1-3-7-15(13)20)22-18(12)14-6-2-4-8-16(14)21/h1-10H,11H2.
What are the key properties of 3-(chloromethyl)-2,6-bis(2-fluorophenyl)pyridine?
3-(chloromethyl)-2,6-bis(2-fluorophenyl)pyridine has a molecular weight of 315.75 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2,6-bis(2-fluorophenyl)pyridine is sourced from PubChem (CID 131869939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).