2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-iodo-N,N-dimethylpyridin-4-amine

C20H21F2IN4 — CID 159317842

IUPAC2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-iodo-N,N-dimethylpyridin-4-amine
SMILESCN(C)c1ccnc(-c2ccc(F)cc2F)c1.CN(C)c1ccnc(I)c1
InChIInChI=1S/C13H12F2N2.C7H9IN2/c1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-10(2)6-3-4-9-7(8)5-6/h3-8H,1-2H3;3-5H,1-2H3
InChIKeyLDJIEPVSHSYYEA-UHFFFAOYSA-N
MW482.32 g/mol
LogP4.84
Rot. Bonds3

About 2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-iodo-N,N-dimethylpyridin-4-amine

2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-iodo-N,N-dimethylpyridin-4-amine (PubChem CID 159317842) has the molecular formula C20H21F2IN4 and a molecular weight of 482.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-iodo-N,N-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-iodo-N,N-dimethylpyridin-4-amine
PubChem CID159317842
Molecular FormulaC20H21F2IN4
Molecular Weight482.32 g/mol
Exact Mass482.08
IUPAC Name2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-iodo-N,N-dimethylpyridin-4-amine
SMILESCN(C)c1ccnc(-c2ccc(F)cc2F)c1.CN(C)c1ccnc(I)c1
InChIInChI=1S/C13H12F2N2.C7H9IN2/c1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-10(2)6-3-4-9-7(8)5-6/h3-8H,1-2H3;3-5H,1-2H3
InChIKeyLDJIEPVSHSYYEA-UHFFFAOYSA-N
XLogP4.84
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.32
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(dimethylamino)phenyl]-N,N-dimethylpyridin-4-amine
CID 54101917
2-(2,4-difluorophenyl)-4-methoxypyridine;2,3-dimethylbutane
CID 145210804
2-[6-[4-(dimethylamino)-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpyridin-4-amine
CID 11045401
2-(2,4-difluorophenyl)-5-fluoropyridine
CID 130334925
2-(2,4-difluorophenyl)pyridine;trichloroiridium
CID 174879451
2-(2,4-difluorophenyl)-4-[2-(1-methylcyclopentyl)propan-2-yl]pyridine
CID 140585208
4-(2,4-difluorophenyl)-2-phenylpyrimidine
CID 172796128
2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;iridium;pyrazine-2-carboxylic acid
CID 91865877
4-(2,4-difluorophenyl)-2-pyridin-2-ylpyridine
CID 102085632
2-(1H-imidazol-2-yl)-N,N-dimethylpyridin-4-amine
CID 137333507
N,N-dimethyl-2-(4,5,6-trichloropyrimidin-2-yl)pyridin-4-amine
CID 87337521
bis(2-(2,4-difluorophenyl)-4-methylpyridine);hydron;iridium;1-(pyrazol-1-ylmethyl)pyrazole;hexafluorophosphate
CID 174791661

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-iodo-N,N-dimethylpyridin-4-amine?
The IUPAC name of 2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-iodo-N,N-dimethylpyridin-4-amine (CID 159317842) is 2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-iodo-N,N-dimethylpyridin-4-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-iodo-N,N-dimethylpyridin-4-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-iodo-N,N-dimethylpyridin-4-amine is CN(C)c1ccnc(-c2ccc(F)cc2F)c1.CN(C)c1ccnc(I)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-iodo-N,N-dimethylpyridin-4-amine?
The InChIKey is LDJIEPVSHSYYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2.C7H9IN2/c1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-10(2)6-3-4-9-7(8)5-6/h3-8H,1-2H3;3-5H,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-iodo-N,N-dimethylpyridin-4-amine?
2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-iodo-N,N-dimethylpyridin-4-amine has a molecular weight of 482.32 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-iodo-N,N-dimethylpyridin-4-amine is sourced from PubChem (CID 159317842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).