[2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methanamine

C13H11F3N2O — CID 115805107

IUPAC[2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methanamine
SMILESNC(c1cncc(F)c1)c1ccccc1OC(F)F
InChIInChI=1S/C13H11F3N2O/c14-9-5-8(6-18-7-9)12(17)10-3-1-2-4-11(10)19-13(15)16/h1-7,12-13H,17H2
InChIKeyZIGSAGLNQNBVCM-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.87
Rot. Bonds4

About [2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methanamine

[2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methanamine (PubChem CID 115805107) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methanamine.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methanamine
PubChem CID115805107
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name[2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methanamine
SMILESNC(c1cncc(F)c1)c1ccccc1OC(F)F
InChIInChI=1S/C13H11F3N2O/c14-9-5-8(6-18-7-9)12(17)10-3-1-2-4-11(10)19-13(15)16/h1-7,12-13H,17H2
InChIKeyZIGSAGLNQNBVCM-UHFFFAOYSA-N
XLogP2.87
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[[2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288032
[2-(difluoromethoxy)phenyl]-pyrimidin-5-ylmethanamine
CID 115827479
(5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine
CID 105176629
[2-(difluoromethoxy)phenyl]-(3-methylphenyl)methanamine
CID 115790299
[[2-(difluoromethoxy)phenyl]-(3-fluorophenyl)methyl]hydrazine
CID 105285492
(5-fluoro-3-pyridinyl)-pyrazolo[1,5-a]pyridin-3-ylmethanamine
CID 103126298
(5-fluoro-3-pyridinyl)-quinolin-5-ylmethanamine
CID 105102211
(2-bromo-5-iodophenyl)-(5-fluoro-3-pyridinyl)methanamine
CID 114026972
(2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine
CID 43345041
(2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine
CID 43344658
(5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43125149
1-[2-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 43481244

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methanamine?
The IUPAC name of [2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methanamine (CID 115805107) is [2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methanamine.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methanamine?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methanamine is NC(c1cncc(F)c1)c1ccccc1OC(F)F.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methanamine?
The InChIKey is ZIGSAGLNQNBVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c14-9-5-8(6-18-7-9)12(17)10-3-1-2-4-11(10)19-13(15)16/h1-7,12-13H,17H2.
What are the key properties of [2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methanamine?
[2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methanamine has a molecular weight of 268.24 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methanamine is sourced from PubChem (CID 115805107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).