3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine

C12H11F2N3 — CID 114700865

IUPAC3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine
SMILESCc1cnccc1CNc1ncc(F)cc1F
InChIInChI=1S/C12H11F2N3/c1-8-5-15-3-2-9(8)6-16-12-11(14)4-10(13)7-17-12/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyYUTFKHHJUGNZEF-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.68
Rot. Bonds3

About 3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine

3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine (PubChem CID 114700865) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine
PubChem CID114700865
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine
SMILESCc1cnccc1CNc1ncc(F)cc1F
InChIInChI=1S/C12H11F2N3/c1-8-5-15-3-2-9(8)6-16-12-11(14)4-10(13)7-17-12/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyYUTFKHHJUGNZEF-UHFFFAOYSA-N
XLogP2.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine 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

N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine
CID 112675874
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine
CID 112676039
3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]-2-nitroaniline
CID 114700950
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine
CID 112676213
3,5-difluoro-4-[(3-methyl-4-pyridinyl)methylamino]benzonitrile
CID 114700430
3,5-difluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 112675579
3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid
CID 114701905
3,5-dichloro-2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine
CID 102760160
3,5-difluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
CID 112675783
6-N,2,5-trimethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114702231
6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114702297
N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329924

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine (CID 114700865) is 3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine is Cc1cnccc1CNc1ncc(F)cc1F.
What is the InChIKey of 3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine?
The InChIKey is YUTFKHHJUGNZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c1-8-5-15-3-2-9(8)6-16-12-11(14)4-10(13)7-17-12/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of 3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine?
3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine has a molecular weight of 235.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine is sourced from PubChem (CID 114700865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).