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

C12H10ClFN2O — CID 156504997

IUPAC2-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline
SMILESNc1ccc(OCc2cccc(F)n2)cc1Cl
InChIInChI=1S/C12H10ClFN2O/c13-10-6-9(4-5-11(10)15)17-7-8-2-1-3-12(14)16-8/h1-6H,7,15H2
InChIKeyJAHJRLWZVFWYDK-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.04
Rot. Bonds3

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

2-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline (PubChem CID 156504997) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 2-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline.

Molecular Properties

Compound Name2-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline
PubChem CID156504997
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name2-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline
SMILESNc1ccc(OCc2cccc(F)n2)cc1Cl
InChIInChI=1S/C12H10ClFN2O/c13-10-6-9(4-5-11(10)15)17-7-8-2-1-3-12(14)16-8/h1-6H,7,15H2
InChIKeyJAHJRLWZVFWYDK-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline
CID 63992724
2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine
CID 79040362
[6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 106908576
N-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline
CID 156504998
2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878038
2-chloro-4-[(4-methoxyphenyl)methoxy]aniline
CID 62113615
2-[(3,4-dichlorophenoxy)methyl]-3-fluoroaniline
CID 63331345
2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline
CID 79267749
2-[(3,4-dichlorophenoxy)methyl]pyridine
CID 174779615
[6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 106908225
6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine
CID 83234987
6-[(3,4-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 79239120

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline?
The IUPAC name of 2-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline (CID 156504997) is 2-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline.
What is the SMILES notation for 2-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline?
The canonical SMILES for 2-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline is Nc1ccc(OCc2cccc(F)n2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline?
The InChIKey is JAHJRLWZVFWYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-10-6-9(4-5-11(10)15)17-7-8-2-1-3-12(14)16-8/h1-6H,7,15H2.
What are the key properties of 2-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline?
2-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]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 2-chloro-4-[(6-fluoro-2-pyridinyl)methoxy]aniline is sourced from PubChem (CID 156504997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).