(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine

C13H11F3N2 — CID 82822647

IUPAC(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
SMILESCc1ccc(F)c(C(N)c2ccncc2F)c1F
InChIInChI=1S/C13H11F3N2/c1-7-2-3-9(14)11(12(7)16)13(17)8-4-5-18-6-10(8)15/h2-6,13H,17H2,1H3
InChIKeyCUHXDSCURVKDLE-UHFFFAOYSA-N
MW252.24 g/mol
LogP2.86
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine

(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine (PubChem CID 82822647) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
PubChem CID82822647
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
SMILESCc1ccc(F)c(C(N)c2ccncc2F)c1F
InChIInChI=1S/C13H11F3N2/c1-7-2-3-9(14)11(12(7)16)13(17)8-4-5-18-6-10(8)15/h2-6,13H,17H2,1H3
InChIKeyCUHXDSCURVKDLE-UHFFFAOYSA-N
XLogP2.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine 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

bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 82822811
(2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038108
(2,6-difluoro-3-methylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 82819933
(2,6-difluoro-3-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852896
(3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine
CID 114030256
(3-fluoro-4-pyridinyl)-(5-methylpyrazin-2-yl)methanamine
CID 105182010
(2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038151
(3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105181986
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
(4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038146
(2,6-difluoro-3-methylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 82823215

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine (CID 82822647) is (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine is Cc1ccc(F)c(C(N)c2ccncc2F)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine?
The InChIKey is CUHXDSCURVKDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c1-7-2-3-9(14)11(12(7)16)13(17)8-4-5-18-6-10(8)15/h2-6,13H,17H2,1H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine?
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine has a molecular weight of 252.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine is sourced from PubChem (CID 82822647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).