2-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-3-(2,2,4-trimethylpentoxy)pyridine

C19H23ClF2N2O — CID 123474831

IUPAC2-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-3-(2,2,4-trimethylpentoxy)pyridine
SMILESCC(C)CC(C)(C)COc1ccc(-c2ccnc(C(F)F)c2)nc1Cl
InChIInChI=1S/C19H23ClF2N2O/c1-12(2)10-19(3,4)11-25-16-6-5-14(24-17(16)20)13-7-8-23-15(9-13)18(21)22/h5-9,12,18H,10-11H2,1-4H3
InChIKeyQLZZEIZVBUICJZ-UHFFFAOYSA-N
MW368.86 g/mol
LogP6.19
Rot. Bonds7

About 2-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-3-(2,2,4-trimethylpentoxy)pyridine

2-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-3-(2,2,4-trimethylpentoxy)pyridine (PubChem CID 123474831) has the molecular formula C19H23ClF2N2O and a molecular weight of 368.86 g/mol. Its IUPAC name is 2-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-3-(2,2,4-trimethylpentoxy)pyridine.

Molecular Properties

Compound Name2-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-3-(2,2,4-trimethylpentoxy)pyridine
PubChem CID123474831
Molecular FormulaC19H23ClF2N2O
Molecular Weight368.86 g/mol
Exact Mass368.15
IUPAC Name2-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-3-(2,2,4-trimethylpentoxy)pyridine
SMILESCC(C)CC(C)(C)COc1ccc(-c2ccnc(C(F)F)c2)nc1Cl
InChIInChI=1S/C19H23ClF2N2O/c1-12(2)10-19(3,4)11-25-16-6-5-14(24-17(16)20)13-7-8-23-15(9-13)18(21)22/h5-9,12,18H,10-11H2,1-4H3
InChIKeyQLZZEIZVBUICJZ-UHFFFAOYSA-N
XLogP6.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.86
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420146
1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine;phosphoric acid
CID 166794219
[1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118419779
2-amino-2-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxymethyl]-4-methylpentan-1-ol
CID 135284420
[1-[2-cyclopropyl-4-[2-(difluoromethyl)-4-pyridinyl]phenoxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118420236
(2S)-1-[[2-chloro-6-(7-fluoroquinolin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419718
[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate
CID 135282378
2-(difluoromethyl)-4-[4-(2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]pyridine
CID 123296876
1-[[2-(difluoromethyl)-6-pyridin-4-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 145286468
2-(difluoromethyl)-4-(4-fluoro-2-pyridinyl)pyridine
CID 172578206
(2S)-2,4-dimethyl-1-[4-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 137350676
6-(2-chloro-4-pyridinyl)-2-(difluoromethyl)-3-(2,4-dimethylpentoxy)pyridine
CID 144939984

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-3-(2,2,4-trimethylpentoxy)pyridine?
The IUPAC name of 2-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-3-(2,2,4-trimethylpentoxy)pyridine (CID 123474831) is 2-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-3-(2,2,4-trimethylpentoxy)pyridine.
What is the SMILES notation for 2-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-3-(2,2,4-trimethylpentoxy)pyridine?
The canonical SMILES for 2-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-3-(2,2,4-trimethylpentoxy)pyridine is CC(C)CC(C)(C)COc1ccc(-c2ccnc(C(F)F)c2)nc1Cl.
What is the InChIKey of 2-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-3-(2,2,4-trimethylpentoxy)pyridine?
The InChIKey is QLZZEIZVBUICJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClF2N2O/c1-12(2)10-19(3,4)11-25-16-6-5-14(24-17(16)20)13-7-8-23-15(9-13)18(21)22/h5-9,12,18H,10-11H2,1-4H3.
What are the key properties of 2-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-3-(2,2,4-trimethylpentoxy)pyridine?
2-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-3-(2,2,4-trimethylpentoxy)pyridine has a molecular weight of 368.86 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-3-(2,2,4-trimethylpentoxy)pyridine is sourced from PubChem (CID 123474831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).