5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine

C12H11F2N3 — CID 104534685

IUPAC5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine
SMILESNc1cncc(NCc2cc(F)ccc2F)c1
InChIInChI=1S/C12H11F2N3/c13-9-1-2-12(14)8(3-9)5-17-11-4-10(15)6-16-7-11/h1-4,6-7,17H,5,15H2
InChIKeyOVRQDVMJFMLJQD-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.55
Rot. Bonds3

About 5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine

5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine (PubChem CID 104534685) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine
PubChem CID104534685
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine
SMILESNc1cncc(NCc2cc(F)ccc2F)c1
InChIInChI=1S/C12H11F2N3/c13-9-1-2-12(14)8(3-9)5-17-11-4-10(15)6-16-7-11/h1-4,6-7,17H,5,15H2
InChIKeyOVRQDVMJFMLJQD-UHFFFAOYSA-N
XLogP2.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123866
4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine
CID 113367849
5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine
CID 103702616
5-N-[(2-methylphenyl)methyl]pyridine-3,5-diamine
CID 104533137
N-[(2-fluoro-5-methylphenyl)methyl]-5-methylpyridin-3-amine
CID 103824043
6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine
CID 113379891
5-N-(2,4-difluorophenyl)pyridine-3,5-diamine
CID 104532376
5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79840079
N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 43312508
N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine
CID 112675874
2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 112740496
5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine
CID 55235504

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine?
The IUPAC name of 5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine (CID 104534685) is 5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine.
What is the SMILES notation for 5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine?
The canonical SMILES for 5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine is Nc1cncc(NCc2cc(F)ccc2F)c1.
What is the InChIKey of 5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine?
The InChIKey is OVRQDVMJFMLJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c13-9-1-2-12(14)8(3-9)5-17-11-4-10(15)6-16-7-11/h1-4,6-7,17H,5,15H2.
What are the key properties of 5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine?
5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine has a molecular weight of 235.24 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine is sourced from PubChem (CID 104534685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).