4-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine

C18H12ClF2N — CID 131869642

IUPAC4-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2nccc(CCl)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H12ClF2N/c19-11-14-9-10-22-18(13-3-7-16(21)8-4-13)17(14)12-1-5-15(20)6-2-12/h1-10H,11H2
InChIKeyCILYOUIGUXLXSV-UHFFFAOYSA-N
MW315.75 g/mol
LogP5.43
Rot. Bonds3

About 4-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine

4-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine (PubChem CID 131869642) has the molecular formula C18H12ClF2N and a molecular weight of 315.75 g/mol. Its IUPAC name is 4-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine
PubChem CID131869642
Molecular FormulaC18H12ClF2N
Molecular Weight315.75 g/mol
Exact Mass315.06
IUPAC Name4-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2nccc(CCl)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H12ClF2N/c19-11-14-9-10-22-18(13-3-7-16(21)8-4-13)17(14)12-1-5-15(20)6-2-12/h1-10H,11H2
InChIKeyCILYOUIGUXLXSV-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

ethane;[3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]methanol
CID 169264740
[2-(4-fluorophenyl)-3-pyridinyl]methanol
CID 22158045
2-(2,3-dipyridin-4-yl-4-pyridinyl)acetic acid
CID 131870393
4-[3-(4-fluorophenyl)pyrazin-2-yl]aniline
CID 126529174
2-[2-(4-fluorophenyl)-3-pyridinyl]ethanol
CID 117001602
5-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine
CID 131870202
4-chloro-3-(4-fluorophenyl)pyridin-2-amine
CID 119054060
2-(4-fluorophenyl)pyridin-3-ol
CID 22724568
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
4-fluoro-2-(4-fluorophenyl)pyridine-3-carbaldehyde
CID 118993010
8-(4-fluorophenyl)imidazo[1,2-a]pyrazine
CID 151841576
4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine
CID 118704205

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine?
The IUPAC name of 4-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine (CID 131869642) is 4-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine.
What is the SMILES notation for 4-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine?
The canonical SMILES for 4-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine is Fc1ccc(-c2nccc(CCl)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine?
The InChIKey is CILYOUIGUXLXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N/c19-11-14-9-10-22-18(13-3-7-16(21)8-4-13)17(14)12-1-5-15(20)6-2-12/h1-10H,11H2.
What are the key properties of 4-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine?
4-(chloromethyl)-2,3-bis(4-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 4-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine is sourced from PubChem (CID 131869642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).