3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine

C12H8Cl2FN — CID 121014902

IUPAC3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine
SMILESFc1cc(Cl)ccc1C(Cl)c1cccnc1
InChIInChI=1S/C12H8Cl2FN/c13-9-3-4-10(11(15)6-9)12(14)8-2-1-5-16-7-8/h1-7,12H
InChIKeyOFKBXVXASXROFE-UHFFFAOYSA-N
MW256.11 g/mol
LogP4.20
Rot. Bonds2

About 3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine

3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine (PubChem CID 121014902) has the molecular formula C12H8Cl2FN and a molecular weight of 256.11 g/mol. Its IUPAC name is 3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine.

Molecular Properties

Compound Name3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine
PubChem CID121014902
Molecular FormulaC12H8Cl2FN
Molecular Weight256.11 g/mol
Exact Mass255.00
IUPAC Name3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine
SMILESFc1cc(Cl)ccc1C(Cl)c1cccnc1
InChIInChI=1S/C12H8Cl2FN/c13-9-3-4-10(11(15)6-9)12(14)8-2-1-5-16-7-8/h1-7,12H
InChIKeyOFKBXVXASXROFE-UHFFFAOYSA-N
XLogP4.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 54.20
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

(5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine
CID 114885982
1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene
CID 63436858
4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene
CID 55198108
2-[4-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperazin-1-yl]pyrimidine
CID 56676128
(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(4-pyridin-3-ylphenyl)ethanol
CID 59446295
[4-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperazin-1-yl]-cyclopropylmethanone
CID 56668892
N-[1-(2,4-dichlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43193785
1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 81344921
N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-(5-fluoropyrimidin-2-yl)piperidin-4-amine
CID 56658791
(3,5-dichlorophenyl)-pyridin-3-ylmethanol
CID 63900537
(2-chloro-4-fluorophenyl)-pyridin-3-ylmethanol
CID 62945841
(4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine
CID 114906176

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine?
The IUPAC name of 3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine (CID 121014902) is 3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine.
What is the SMILES notation for 3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine?
The canonical SMILES for 3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine is Fc1cc(Cl)ccc1C(Cl)c1cccnc1.
What is the InChIKey of 3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine?
The InChIKey is OFKBXVXASXROFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN/c13-9-3-4-10(11(15)6-9)12(14)8-2-1-5-16-7-8/h1-7,12H.
What are the key properties of 3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine?
3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine has a molecular weight of 256.11 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine is sourced from PubChem (CID 121014902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).