N-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline

C12H10ClFN2O — CID 156504998

IUPACN-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline
SMILESFc1cccc(COc2ccc(NCl)cc2)n1
InChIInChI=1S/C12H10ClFN2O/c13-16-9-4-6-11(7-5-9)17-8-10-2-1-3-12(14)15-10/h1-7,16H,8H2
InChIKeyXXODWRVQMYXVSY-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.37
Rot. Bonds4

About N-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline

N-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline (PubChem CID 156504998) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is N-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline.

Molecular Properties

Compound NameN-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline
PubChem CID156504998
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC NameN-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline
SMILESFc1cccc(COc2ccc(NCl)cc2)n1
InChIInChI=1S/C12H10ClFN2O/c13-16-9-4-6-11(7-5-9)17-8-10-2-1-3-12(14)15-10/h1-7,16H,8H2
InChIKeyXXODWRVQMYXVSY-UHFFFAOYSA-N
XLogP3.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline?
The IUPAC name of N-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline (CID 156504998) is N-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline.
What is the SMILES notation for N-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline?
The canonical SMILES for N-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline is Fc1cccc(COc2ccc(NCl)cc2)n1.
What is the InChIKey of N-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline?
The InChIKey is XXODWRVQMYXVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-16-9-4-6-11(7-5-9)17-8-10-2-1-3-12(14)15-10/h1-7,16H,8H2.
What are the key properties of N-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline?
N-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline has a molecular weight of 252.68 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline is sourced from PubChem (CID 156504998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).