3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine

C12H10F2N2O — CID 10331655

IUPAC3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine
SMILESNc1ncccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C12H10F2N2O/c13-9-4-3-8(6-10(9)14)7-17-11-2-1-5-16-12(11)15/h1-6H,7H2,(H2,15,16)
InChIKeyVORHIABZVXSIBX-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.52
Rot. Bonds3

About 3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine

3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine (PubChem CID 10331655) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine
PubChem CID10331655
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine
SMILESNc1ncccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C12H10F2N2O/c13-9-4-3-8(6-10(9)14)7-17-11-2-1-5-16-12(11)15/h1-6H,7H2,(H2,15,16)
InChIKeyVORHIABZVXSIBX-UHFFFAOYSA-N
XLogP2.52
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Related Compounds

1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462
3-[2-(3,4-difluorophenyl)ethyl]pyridin-2-amine
CID 82924582
3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine
CID 43438660
3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
CID 162141376
3-(thiophen-3-ylmethoxy)pyridin-2-amine
CID 43646070
4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82919067
3-[(4-fluoro-2-methylphenyl)methoxy]pyridin-2-amine
CID 114345632
2-[(3,4-difluorophenyl)methoxy]-4-methylaniline
CID 82918739
5-bromo-2-[(3,4-difluorophenyl)methoxy]aniline
CID 82918529
2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile
CID 107889224
3-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464415
2-bromo-3-[(3-fluoro-4-methoxyphenyl)methoxy]pyridine
CID 62047655

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine?
The IUPAC name of 3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine (CID 10331655) is 3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine?
The canonical SMILES for 3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine is Nc1ncccc1OCc1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine?
The InChIKey is VORHIABZVXSIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c13-9-4-3-8(6-10(9)14)7-17-11-2-1-5-16-12(11)15/h1-6H,7H2,(H2,15,16).
What are the key properties of 3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine?
3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine has a molecular weight of 236.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine is sourced from PubChem (CID 10331655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).