2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline

C12H10F2N2 — CID 107616009

IUPAC2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline
SMILESCc1cc(-c2cc(F)c(N)cc2F)ccn1
InChIInChI=1S/C12H10F2N2/c1-7-4-8(2-3-16-7)9-5-11(14)12(15)6-10(9)13/h2-6H,15H2,1H3
InChIKeyAWUFCXQXAXNSJD-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.92
Rot. Bonds1

About 2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline

2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline (PubChem CID 107616009) has the molecular formula C12H10F2N2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline.

Molecular Properties

Compound Name2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline
PubChem CID107616009
Molecular FormulaC12H10F2N2
Molecular Weight220.22 g/mol
Exact Mass220.08
IUPAC Name2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline
SMILESCc1cc(-c2cc(F)c(N)cc2F)ccn1
InChIInChI=1S/C12H10F2N2/c1-7-4-8(2-3-16-7)9-5-11(14)12(15)6-10(9)13/h2-6H,15H2,1H3
InChIKeyAWUFCXQXAXNSJD-UHFFFAOYSA-N
XLogP2.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-difluoro-4-(2-methylquinolin-6-yl)aniline
CID 107615923
2-chloro-4-fluoro-6-(2-methyl-4-pyridinyl)aniline
CID 107616008
4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine
CID 175370030
3-ethoxy-4-(2-methyl-4-pyridinyl)aniline
CID 172651460
2,5-difluoro-4-(4-phenylphenyl)aniline
CID 107615842
5-bromo-3-(2-methyl-4-pyridinyl)pyridin-2-amine
CID 118470305
2-fluoro-4-(2-methyl-4-pyridinyl)phenol
CID 136955345
2,4-difluoro-5-(3-methylphenyl)aniline
CID 164576434
2-fluoro-6-(2-methyl-4-pyridinyl)benzoic acid
CID 114560371
3-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)aniline
CID 172651447
4-fluoro-2-(2-methyl-4-pyridinyl)pyridine
CID 102824556
4-(2,6-dimethylphenyl)-2-methylpyridine
CID 126725908

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline?
The IUPAC name of 2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline (CID 107616009) is 2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline.
What is the SMILES notation for 2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline?
The canonical SMILES for 2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline is Cc1cc(-c2cc(F)c(N)cc2F)ccn1.
What is the InChIKey of 2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline?
The InChIKey is AWUFCXQXAXNSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2/c1-7-4-8(2-3-16-7)9-5-11(14)12(15)6-10(9)13/h2-6H,15H2,1H3.
What are the key properties of 2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline?
2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline has a molecular weight of 220.22 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline is sourced from PubChem (CID 107616009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).