2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine

C13H13F2N3O — CID 79172716

IUPAC2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine
SMILESCc1cc(Nc2ccccc2OC(F)F)ncc1N
InChIInChI=1S/C13H13F2N3O/c1-8-6-12(17-7-9(8)16)18-10-4-2-3-5-11(10)19-13(14)15/h2-7,13H,16H2,1H3,(H,17,18)
InChIKeyZVRZDWZCYOOXGZ-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.32
Rot. Bonds4

About 2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine

2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine (PubChem CID 79172716) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine
PubChem CID79172716
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine
SMILESCc1cc(Nc2ccccc2OC(F)F)ncc1N
InChIInChI=1S/C13H13F2N3O/c1-8-6-12(17-7-9(8)16)18-10-4-2-3-5-11(10)19-13(14)15/h2-7,13H,16H2,1H3,(H,17,18)
InChIKeyZVRZDWZCYOOXGZ-UHFFFAOYSA-N
XLogP3.32
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-methoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020929
4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine
CID 107643430
N-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine
CID 80916501
2-N-(2-methoxyphenyl)-5-methylpyridine-2,4-diamine
CID 83265211
N-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine
CID 113305662
4-methyl-2-N-phenylpyridine-2,5-diamine
CID 79002285
4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80729422
2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine
CID 79173234
4-N-[2-(difluoromethoxy)phenyl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80754579
2-N-(2,4-dibromophenyl)-4-methylpyridine-2,5-diamine
CID 79173349
5-bromo-N-[2-(difluoromethoxy)phenyl]pyridin-3-amine
CID 104531433
2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine
CID 62336208

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine (CID 79172716) is 2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine is Cc1cc(Nc2ccccc2OC(F)F)ncc1N.
What is the InChIKey of 2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine?
The InChIKey is ZVRZDWZCYOOXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-8-6-12(17-7-9(8)16)18-10-4-2-3-5-11(10)19-13(14)15/h2-7,13H,16H2,1H3,(H,17,18).
What are the key properties of 2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine?
2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine has a molecular weight of 265.26 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 79172716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).