4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline

C12H10ClFN2O — CID 141490423

IUPAC4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline
SMILESNc1ccc(OCc2ccnc(Cl)c2)c(F)c1
InChIInChI=1S/C12H10ClFN2O/c13-12-5-8(3-4-16-12)7-17-11-2-1-9(15)6-10(11)14/h1-6H,7,15H2
InChIKeyDFODGIZVOIOOQJ-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.04
Rot. Bonds3

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

4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline (PubChem CID 141490423) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline.

Molecular Properties

Compound Name4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline
PubChem CID141490423
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline
SMILESNc1ccc(OCc2ccnc(Cl)c2)c(F)c1
InChIInChI=1S/C12H10ClFN2O/c13-12-5-8(3-4-16-12)7-17-11-2-1-9(15)6-10(11)14/h1-6H,7,15H2
InChIKeyDFODGIZVOIOOQJ-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-[(2,4-difluorophenoxy)methyl]pyridine
CID 62045301
4-[(4-bromo-2-fluorophenoxy)methyl]-2-chloropyridine
CID 55069584
2-[(2-chloro-4-pyridinyl)methoxy]aniline
CID 62469846
4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine
CID 81495867
4-[(2,4-difluorophenoxy)methyl]pyridin-2-amine
CID 62464402
2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine
CID 78987592
2-chloro-4-[(4-fluorophenoxy)methyl]pyridine
CID 62299799
4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine
CID 104704629
2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine
CID 63480612
3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride
CID 75530160
3-fluoro-4-(quinolin-4-ylmethoxy)aniline
CID 79235627
4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline
CID 114929926

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline?
The IUPAC name of 4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline (CID 141490423) is 4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline.
What is the SMILES notation for 4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline?
The canonical SMILES for 4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline is Nc1ccc(OCc2ccnc(Cl)c2)c(F)c1.
What is the InChIKey of 4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline?
The InChIKey is DFODGIZVOIOOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-12-5-8(3-4-16-12)7-17-11-2-1-9(15)6-10(11)14/h1-6H,7,15H2.
What are the key properties of 4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline?
4-[(2-chloro-4-pyridinyl)methoxy]-3-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 4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline is sourced from PubChem (CID 141490423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).