4-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]aniline

C12H10ClFN2O — CID 79727542

IUPAC4-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]aniline
SMILESNc1ccc(COc2ncc(Cl)cc2F)cc1
InChIInChI=1S/C12H10ClFN2O/c13-9-5-11(14)12(16-6-9)17-7-8-1-3-10(15)4-2-8/h1-6H,7,15H2
InChIKeyJHSYCQRTFZFTJZ-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.04
Rot. Bonds3

About 4-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]aniline

4-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]aniline (PubChem CID 79727542) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 4-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]aniline.

Molecular Properties

Compound Name4-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]aniline
PubChem CID79727542
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name4-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]aniline
SMILESNc1ccc(COc2ncc(Cl)cc2F)cc1
InChIInChI=1S/C12H10ClFN2O/c13-9-5-11(14)12(16-6-9)17-7-8-1-3-10(15)4-2-8/h1-6H,7,15H2
InChIKeyJHSYCQRTFZFTJZ-UHFFFAOYSA-N
XLogP3.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-[(4-chlorophenyl)methoxy]pyridin-3-amine
CID 79534403
3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
CID 79727242
5-chloro-3-fluoro-2-prop-2-enoxypyridine
CID 79728217
[3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 79734258
4-[(4-chlorophenyl)methoxy]quinazolin-6-amine
CID 65126778
1-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylbutan-2-amine
CID 79733959
5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
CID 79727544
5-chloro-3-fluoro-2-(3-phenylprop-2-enoxy)pyridine
CID 79728422
6-[(3-chlorophenyl)methoxy]-3,5-difluoropyridin-2-amine
CID 114073469
2-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 126954186
2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N-ethylethanamine
CID 79734651
3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine
CID 105368343

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]aniline?
The IUPAC name of 4-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]aniline (CID 79727542) is 4-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]aniline.
What is the SMILES notation for 4-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]aniline?
The canonical SMILES for 4-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]aniline is Nc1ccc(COc2ncc(Cl)cc2F)cc1.
What is the InChIKey of 4-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]aniline?
The InChIKey is JHSYCQRTFZFTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-9-5-11(14)12(16-6-9)17-7-8-1-3-10(15)4-2-8/h1-6H,7,15H2.
What are the key properties of 4-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]aniline?
4-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]aniline has a molecular weight of 252.68 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]aniline is sourced from PubChem (CID 79727542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).