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

C12H11F2N3 — CID 63795498

IUPAC2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine
SMILESNc1cccnc1NCc1cc(F)ccc1F
InChIInChI=1S/C12H11F2N3/c13-9-3-4-10(14)8(6-9)7-17-12-11(15)2-1-5-16-12/h1-6H,7,15H2,(H,16,17)
InChIKeyCAESVXPTTSEUHS-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.55
Rot. Bonds3

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

2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine (PubChem CID 63795498) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine
PubChem CID63795498
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine
SMILESNc1cccnc1NCc1cc(F)ccc1F
InChIInChI=1S/C12H11F2N3/c13-9-3-4-10(14)8(6-9)7-17-12-11(15)2-1-5-16-12/h1-6H,7,15H2,(H,16,17)
InChIKeyCAESVXPTTSEUHS-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

2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 112740496
N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine
CID 112675874
4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine
CID 113367849
N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine
CID 63373228
3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
CID 62228513
N-[(2,5-difluorophenyl)methyl]quinolin-6-amine
CID 62634585
2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382350
4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123866
2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine
CID 62537408
2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 63791914
4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine
CID 103963319
5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine
CID 60927464

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine?
The IUPAC name of 2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine (CID 63795498) is 2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine is Nc1cccnc1NCc1cc(F)ccc1F.
What is the InChIKey of 2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine?
The InChIKey is CAESVXPTTSEUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c13-9-3-4-10(14)8(6-9)7-17-12-11(15)2-1-5-16-12/h1-6H,7,15H2,(H,16,17).
What are the key properties of 2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine?
2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-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 2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 63795498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).