4-dimethylphosphoryl-5-fluoro-N-(2-fluoro-4-methylphenyl)pyridin-3-amine

C14H15F2N2OP — CID 169174670

IUPAC4-dimethylphosphoryl-5-fluoro-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
SMILESCc1ccc(Nc2cncc(F)c2P(C)(C)=O)c(F)c1
InChIInChI=1S/C14H15F2N2OP/c1-9-4-5-12(10(15)6-9)18-13-8-17-7-11(16)14(13)20(2,3)19/h4-8,18H,1-3H3
InChIKeyGSTSSMLATUOZNB-UHFFFAOYSA-N
MW296.26 g/mol
LogP3.66
Rot. Bonds3

About 4-dimethylphosphoryl-5-fluoro-N-(2-fluoro-4-methylphenyl)pyridin-3-amine

4-dimethylphosphoryl-5-fluoro-N-(2-fluoro-4-methylphenyl)pyridin-3-amine (PubChem CID 169174670) has the molecular formula C14H15F2N2OP and a molecular weight of 296.26 g/mol. Its IUPAC name is 4-dimethylphosphoryl-5-fluoro-N-(2-fluoro-4-methylphenyl)pyridin-3-amine.

Molecular Properties

Compound Name4-dimethylphosphoryl-5-fluoro-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
PubChem CID169174670
Molecular FormulaC14H15F2N2OP
Molecular Weight296.26 g/mol
Exact Mass296.09
IUPAC Name4-dimethylphosphoryl-5-fluoro-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
SMILESCc1ccc(Nc2cncc(F)c2P(C)(C)=O)c(F)c1
InChIInChI=1S/C14H15F2N2OP/c1-9-4-5-12(10(15)6-9)18-13-8-17-7-11(16)14(13)20(2,3)19/h4-8,18H,1-3H3
InChIKeyGSTSSMLATUOZNB-UHFFFAOYSA-N
XLogP3.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
CID 169174690
3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide
CID 143220406
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile
CID 176938978
4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
CID 169174678
N-(1-butan-2-ylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 167121246
N-(2-fluoro-4-methylphenyl)-4-methylpyridin-2-amine
CID 91756465
3-fluoro-4-(2-fluoro-4-methylanilino)-1H-pyridin-2-one
CID 143806454
3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 60789566
ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711337
ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate
CID 143635942
2-[(2S)-2,3-dihydroxypropyl]-8-(2-fluoro-4-methylanilino)-2,6-naphthyridin-1-one
CID 163456255

Frequently Asked Questions

What is the IUPAC name of 4-dimethylphosphoryl-5-fluoro-N-(2-fluoro-4-methylphenyl)pyridin-3-amine?
The IUPAC name of 4-dimethylphosphoryl-5-fluoro-N-(2-fluoro-4-methylphenyl)pyridin-3-amine (CID 169174670) is 4-dimethylphosphoryl-5-fluoro-N-(2-fluoro-4-methylphenyl)pyridin-3-amine.
What is the SMILES notation for 4-dimethylphosphoryl-5-fluoro-N-(2-fluoro-4-methylphenyl)pyridin-3-amine?
The canonical SMILES for 4-dimethylphosphoryl-5-fluoro-N-(2-fluoro-4-methylphenyl)pyridin-3-amine is Cc1ccc(Nc2cncc(F)c2P(C)(C)=O)c(F)c1.
What is the InChIKey of 4-dimethylphosphoryl-5-fluoro-N-(2-fluoro-4-methylphenyl)pyridin-3-amine?
The InChIKey is GSTSSMLATUOZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N2OP/c1-9-4-5-12(10(15)6-9)18-13-8-17-7-11(16)14(13)20(2,3)19/h4-8,18H,1-3H3.
What are the key properties of 4-dimethylphosphoryl-5-fluoro-N-(2-fluoro-4-methylphenyl)pyridin-3-amine?
4-dimethylphosphoryl-5-fluoro-N-(2-fluoro-4-methylphenyl)pyridin-3-amine has a molecular weight of 296.26 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylphosphoryl-5-fluoro-N-(2-fluoro-4-methylphenyl)pyridin-3-amine is sourced from PubChem (CID 169174670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).