[4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine

C12H9ClF2N2O — CID 112676396

IUPAC[4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine
SMILESNCc1ccc(Cl)cc1Oc1ncc(F)cc1F
InChIInChI=1S/C12H9ClF2N2O/c13-8-2-1-7(5-16)11(3-8)18-12-10(15)4-9(14)6-17-12/h1-4,6H,5,16H2
InChIKeyXXXGPRWAOGSQPH-UHFFFAOYSA-N
MW270.67 g/mol
LogP3.26
Rot. Bonds3

About [4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine

[4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine (PubChem CID 112676396) has the molecular formula C12H9ClF2N2O and a molecular weight of 270.67 g/mol. Its IUPAC name is [4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine
PubChem CID112676396
Molecular FormulaC12H9ClF2N2O
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name[4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine
SMILESNCc1ccc(Cl)cc1Oc1ncc(F)cc1F
InChIInChI=1S/C12H9ClF2N2O/c13-8-2-1-7(5-16)11(3-8)18-12-10(15)4-9(14)6-17-12/h1-4,6H,5,16H2
InChIKeyXXXGPRWAOGSQPH-UHFFFAOYSA-N
XLogP3.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine
CID 114323920
[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine
CID 114838134
[4-chloro-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 114323941
[5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 83146354
4-chloro-3-[(3,5-difluoro-2-pyridinyl)oxy]aniline
CID 112676066
[2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine
CID 106999554
[4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine
CID 63082321
[4-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
CID 114323896
[4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine
CID 63082834
[3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 79734258
2-[(3,5-difluoro-2-pyridinyl)oxy]phenol
CID 112676281
[5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine
CID 62296562

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine?
The IUPAC name of [4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine (CID 112676396) is [4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine.
What is the SMILES notation for [4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine?
The canonical SMILES for [4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine is NCc1ccc(Cl)cc1Oc1ncc(F)cc1F.
What is the InChIKey of [4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine?
The InChIKey is XXXGPRWAOGSQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O/c13-8-2-1-7(5-16)11(3-8)18-12-10(15)4-9(14)6-17-12/h1-4,6H,5,16H2.
What are the key properties of [4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine?
[4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine has a molecular weight of 270.67 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine is sourced from PubChem (CID 112676396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).