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

C18H12ClF2N — CID 131869560

IUPAC2-(chloromethyl)-3,6-bis(3-fluorophenyl)pyridine
SMILESFc1cccc(-c2ccc(-c3cccc(F)c3)c(CCl)n2)c1
InChIInChI=1S/C18H12ClF2N/c19-11-18-16(12-3-1-5-14(20)9-12)7-8-17(22-18)13-4-2-6-15(21)10-13/h1-10H,11H2
InChIKeyAIFXXSFPALIPGW-UHFFFAOYSA-N
MW315.75 g/mol
LogP5.43
Rot. Bonds3

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

2-(chloromethyl)-3,6-bis(3-fluorophenyl)pyridine (PubChem CID 131869560) has the molecular formula C18H12ClF2N and a molecular weight of 315.75 g/mol. Its IUPAC name is 2-(chloromethyl)-3,6-bis(3-fluorophenyl)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3,6-bis(3-fluorophenyl)pyridine
PubChem CID131869560
Molecular FormulaC18H12ClF2N
Molecular Weight315.75 g/mol
Exact Mass315.06
IUPAC Name2-(chloromethyl)-3,6-bis(3-fluorophenyl)pyridine
SMILESFc1cccc(-c2ccc(-c3cccc(F)c3)c(CCl)n2)c1
InChIInChI=1S/C18H12ClF2N/c19-11-18-16(12-3-1-5-14(20)9-12)7-8-17(22-18)13-4-2-6-15(21)10-13/h1-10H,11H2
InChIKeyAIFXXSFPALIPGW-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

3-(chloromethyl)-6-(3-fluorophenyl)pyridazine
CID 176989487
3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid
CID 46313709
2-fluoro-6-(3-fluorophenyl)-3-(4-methylphenyl)pyridine
CID 59928893
2-[6-chloro-3-(3-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131870588
2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile
CID 46313536
4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine
CID 80952962
2-fluoro-1,4-bis(3-fluorophenyl)benzene
CID 58392571
2,3-bis(chloromethyl)-6-phenylpyridine
CID 18916594
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
2-[3,6-bis[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623875
2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 131870641
[2,5-bis(3-fluorophenyl)-4-pyridinyl]methanol
CID 131870607

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3,6-bis(3-fluorophenyl)pyridine?
The IUPAC name of 2-(chloromethyl)-3,6-bis(3-fluorophenyl)pyridine (CID 131869560) is 2-(chloromethyl)-3,6-bis(3-fluorophenyl)pyridine.
What is the SMILES notation for 2-(chloromethyl)-3,6-bis(3-fluorophenyl)pyridine?
The canonical SMILES for 2-(chloromethyl)-3,6-bis(3-fluorophenyl)pyridine is Fc1cccc(-c2ccc(-c3cccc(F)c3)c(CCl)n2)c1.
What is the InChIKey of 2-(chloromethyl)-3,6-bis(3-fluorophenyl)pyridine?
The InChIKey is AIFXXSFPALIPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N/c19-11-18-16(12-3-1-5-14(20)9-12)7-8-17(22-18)13-4-2-6-15(21)10-13/h1-10H,11H2.
What are the key properties of 2-(chloromethyl)-3,6-bis(3-fluorophenyl)pyridine?
2-(chloromethyl)-3,6-bis(3-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 2-(chloromethyl)-3,6-bis(3-fluorophenyl)pyridine is sourced from PubChem (CID 131869560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).