3-[(2,3-difluoro-4-methylphenyl)methyl]pyridin-4-amine

C13H12F2N2 — CID 107514276

IUPAC3-[(2,3-difluoro-4-methylphenyl)methyl]pyridin-4-amine
SMILESCc1ccc(Cc2cnccc2N)c(F)c1F
InChIInChI=1S/C13H12F2N2/c1-8-2-3-9(13(15)12(8)14)6-10-7-17-5-4-11(10)16/h2-5,7H,6H2,1H3,(H2,16,17)
InChIKeyJSVOPGZYIWGHAD-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.84
Rot. Bonds2

About 3-[(2,3-difluoro-4-methylphenyl)methyl]pyridin-4-amine

3-[(2,3-difluoro-4-methylphenyl)methyl]pyridin-4-amine (PubChem CID 107514276) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-[(2,3-difluoro-4-methylphenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[(2,3-difluoro-4-methylphenyl)methyl]pyridin-4-amine
PubChem CID107514276
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-[(2,3-difluoro-4-methylphenyl)methyl]pyridin-4-amine
SMILESCc1ccc(Cc2cnccc2N)c(F)c1F
InChIInChI=1S/C13H12F2N2/c1-8-2-3-9(13(15)12(8)14)6-10-7-17-5-4-11(10)16/h2-5,7H,6H2,1H3,(H2,16,17)
InChIKeyJSVOPGZYIWGHAD-UHFFFAOYSA-N
XLogP2.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methoxypyrazin-2-yl)methyl]pyridin-4-amine
CID 104516357
4-[(2,4-dimethylphenyl)methyl]pyridin-3-amine
CID 96612968
3-(bromomethyl)pyridin-4-amine
CID 18674607
1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene
CID 134273625
3-[(2-methyltriazol-4-yl)methyl]pyridin-4-amine
CID 130592205
3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine
CID 114663317
3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 114330482
4-[(4-amino-3-pyridinyl)methyl]naphthalene-1-carbonitrile
CID 139483438
3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine
CID 65325978
3-[(2-methylanilino)methyl]pyridin-4-amine
CID 105466959
1-(4-amino-3-pyridinyl)-3-methylbut-3-en-2-one
CID 103446391
3-(1H-pyrrol-2-ylmethyl)pyridin-4-amine
CID 130527583

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluoro-4-methylphenyl)methyl]pyridin-4-amine?
The IUPAC name of 3-[(2,3-difluoro-4-methylphenyl)methyl]pyridin-4-amine (CID 107514276) is 3-[(2,3-difluoro-4-methylphenyl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[(2,3-difluoro-4-methylphenyl)methyl]pyridin-4-amine?
The canonical SMILES for 3-[(2,3-difluoro-4-methylphenyl)methyl]pyridin-4-amine is Cc1ccc(Cc2cnccc2N)c(F)c1F.
What is the InChIKey of 3-[(2,3-difluoro-4-methylphenyl)methyl]pyridin-4-amine?
The InChIKey is JSVOPGZYIWGHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c1-8-2-3-9(13(15)12(8)14)6-10-7-17-5-4-11(10)16/h2-5,7H,6H2,1H3,(H2,16,17).
What are the key properties of 3-[(2,3-difluoro-4-methylphenyl)methyl]pyridin-4-amine?
3-[(2,3-difluoro-4-methylphenyl)methyl]pyridin-4-amine has a molecular weight of 234.25 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluoro-4-methylphenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 107514276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).