2-(2,3-difluoro-4-pyridinyl)-N-methylaniline

C12H10F2N2 — CID 154001326

IUPAC2-(2,3-difluoro-4-pyridinyl)-N-methylaniline
SMILESCNc1ccccc1-c1ccnc(F)c1F
InChIInChI=1S/C12H10F2N2/c1-15-10-5-3-2-4-8(10)9-6-7-16-12(14)11(9)13/h2-7,15H,1H3
InChIKeyRCPNYFKIPKQHCW-UHFFFAOYSA-N
MW220.22 g/mol
LogP3.07
Rot. Bonds2

About 2-(2,3-difluoro-4-pyridinyl)-N-methylaniline

2-(2,3-difluoro-4-pyridinyl)-N-methylaniline (PubChem CID 154001326) has the molecular formula C12H10F2N2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-(2,3-difluoro-4-pyridinyl)-N-methylaniline.

Molecular Properties

Compound Name2-(2,3-difluoro-4-pyridinyl)-N-methylaniline
PubChem CID154001326
Molecular FormulaC12H10F2N2
Molecular Weight220.22 g/mol
Exact Mass220.08
IUPAC Name2-(2,3-difluoro-4-pyridinyl)-N-methylaniline
SMILESCNc1ccccc1-c1ccnc(F)c1F
InChIInChI=1S/C12H10F2N2/c1-15-10-5-3-2-4-8(10)9-6-7-16-12(14)11(9)13/h2-7,15H,1H3
InChIKeyRCPNYFKIPKQHCW-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,3-difluoro-4-pyridinyl)-N-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-methylpyridin-3-amine
CID 66665252
N-methyl-2-pyrimidin-2-ylaniline
CID 143958404
2-fluoro-N-methyl-3-(2-methylphenyl)aniline
CID 144912363
N-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide
CID 11822715
N-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide
CID 11067056
N-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline
CID 123674642
2-(8-iodonaphthalen-1-yl)-N-methylaniline
CID 154707911
ethane;N-methyl-2-(2-phosphanylphenyl)aniline
CID 142319745
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-N-methylaniline
CID 139456017
2-(4H-imidazol-2-yl)-N-methylaniline
CID 4306146
N-methyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63841053
2-(4-methoxyphenyl)-N-methylaniline
CID 12555620

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4-pyridinyl)-N-methylaniline?
The IUPAC name of 2-(2,3-difluoro-4-pyridinyl)-N-methylaniline (CID 154001326) is 2-(2,3-difluoro-4-pyridinyl)-N-methylaniline.
What is the SMILES notation for 2-(2,3-difluoro-4-pyridinyl)-N-methylaniline?
The canonical SMILES for 2-(2,3-difluoro-4-pyridinyl)-N-methylaniline is CNc1ccccc1-c1ccnc(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-4-pyridinyl)-N-methylaniline?
The InChIKey is RCPNYFKIPKQHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2/c1-15-10-5-3-2-4-8(10)9-6-7-16-12(14)11(9)13/h2-7,15H,1H3.
What are the key properties of 2-(2,3-difluoro-4-pyridinyl)-N-methylaniline?
2-(2,3-difluoro-4-pyridinyl)-N-methylaniline has a molecular weight of 220.22 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4-pyridinyl)-N-methylaniline is sourced from PubChem (CID 154001326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).