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

C12H10ClFN2O — CID 64601157

IUPAC2-[(5-chloro-3-pyridinyl)oxymethyl]-4-fluoroaniline
SMILESNc1ccc(F)cc1COc1cncc(Cl)c1
InChIInChI=1S/C12H10ClFN2O/c13-9-4-11(6-16-5-9)17-7-8-3-10(14)1-2-12(8)15/h1-6H,7,15H2
InChIKeyCUZZQBURHRDKJJ-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.04
Rot. Bonds3

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

2-[(5-chloro-3-pyridinyl)oxymethyl]-4-fluoroaniline (PubChem CID 64601157) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxymethyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxymethyl]-4-fluoroaniline
PubChem CID64601157
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name2-[(5-chloro-3-pyridinyl)oxymethyl]-4-fluoroaniline
SMILESNc1ccc(F)cc1COc1cncc(Cl)c1
InChIInChI=1S/C12H10ClFN2O/c13-9-4-11(6-16-5-9)17-7-8-3-10(14)1-2-12(8)15/h1-6H,7,15H2
InChIKeyCUZZQBURHRDKJJ-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(5-chloro-3-pyridinyl)oxymethyl]-5-fluorobenzenecarbothioamide
CID 64602533
2-[(3,5-difluorophenoxy)methyl]-4-fluoroaniline
CID 62786342
3-[(5-chloro-3-pyridinyl)oxymethyl]pyridin-2-amine
CID 64600258
2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline
CID 55060895
4-fluoro-2-[(4-propylphenoxy)methyl]aniline
CID 62548026
3-[(5-bromofuran-2-yl)methoxy]-5-chloropyridine
CID 130643811
4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline
CID 102615048
5-[(5-chloro-3-pyridinyl)oxymethyl]pyrazin-2-amine
CID 103059159
3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide
CID 107118213
2-[(5-chloro-3-pyridinyl)oxymethyl]-6-(4-fluorophenyl)imidazo[1,2-a]pyrimidine
CID 158629094
2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene
CID 60975597
4-fluoro-2-(methoxymethyl)aniline;hydrochloride
CID 75481190

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxymethyl]-4-fluoroaniline?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxymethyl]-4-fluoroaniline (CID 64601157) is 2-[(5-chloro-3-pyridinyl)oxymethyl]-4-fluoroaniline.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxymethyl]-4-fluoroaniline?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxymethyl]-4-fluoroaniline is Nc1ccc(F)cc1COc1cncc(Cl)c1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxymethyl]-4-fluoroaniline?
The InChIKey is CUZZQBURHRDKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-9-4-11(6-16-5-9)17-7-8-3-10(14)1-2-12(8)15/h1-6H,7,15H2.
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxymethyl]-4-fluoroaniline?
2-[(5-chloro-3-pyridinyl)oxymethyl]-4-fluoroaniline 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 2-[(5-chloro-3-pyridinyl)oxymethyl]-4-fluoroaniline is sourced from PubChem (CID 64601157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).