4-[1-(5-chloro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxy-2-fluoroaniline

C15H12ClFN4O — CID 172526366

IUPAC4-[1-(5-chloro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxy-2-fluoroaniline
SMILESCc1ncc(-n2ccc(Oc3ccc(N)c(F)c3)n2)cc1Cl
InChIInChI=1S/C15H12ClFN4O/c1-9-12(16)6-10(8-19-9)21-5-4-15(20-21)22-11-2-3-14(18)13(17)7-11/h2-8H,18H2,1H3
InChIKeyFKXAMPBXJZJIBB-UHFFFAOYSA-N
MW318.74 g/mol
LogP3.74
Rot. Bonds3

About 4-[1-(5-chloro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxy-2-fluoroaniline

4-[1-(5-chloro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxy-2-fluoroaniline (PubChem CID 172526366) has the molecular formula C15H12ClFN4O and a molecular weight of 318.74 g/mol. Its IUPAC name is 4-[1-(5-chloro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxy-2-fluoroaniline.

Molecular Properties

Compound Name4-[1-(5-chloro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxy-2-fluoroaniline
PubChem CID172526366
Molecular FormulaC15H12ClFN4O
Molecular Weight318.74 g/mol
Exact Mass318.07
IUPAC Name4-[1-(5-chloro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxy-2-fluoroaniline
SMILESCc1ncc(-n2ccc(Oc3ccc(N)c(F)c3)n2)cc1Cl
InChIInChI=1S/C15H12ClFN4O/c1-9-12(16)6-10(8-19-9)21-5-4-15(20-21)22-11-2-3-14(18)13(17)7-11/h2-8H,18H2,1H3
InChIKeyFKXAMPBXJZJIBB-UHFFFAOYSA-N
XLogP3.74
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-[1-(2-methoxypyrimidin-5-yl)pyrazol-3-yl]oxyaniline
CID 164870202
benzyl N-[2-fluoro-4-[1-(5-fluoro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxyphenyl]carbamate
CID 153388242
2-(3-fluoro-4-methylphenoxy)-5-methylpyridin-4-amine
CID 107168502
4-[(6-ethoxy-2-pyridinyl)oxy]-2-fluoroaniline
CID 63590604
6-(4-chloro-3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 82717738
5-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
CID 82716620
2-fluoro-4-[(2-pyrazol-1-yl-4-pyridinyl)oxy]aniline
CID 59825594
2-(4-chloro-3-fluorophenoxy)-6-methylpyridin-3-amine
CID 82716853
6-(4-bromo-3-fluorophenoxy)-4-methylpyridin-3-amine
CID 79176366
5-(2,6-dichlorophenyl)-2-(3-fluoro-4-methylphenoxy)pyrimido[1,6-b]pyridazin-6-one
CID 146649751
5-bromo-6-(4-chloro-3-fluorophenoxy)-4-methylpyridin-3-amine
CID 113420590
2-fluoro-4-methoxyaniline
CID 3756383

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chloro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxy-2-fluoroaniline?
The IUPAC name of 4-[1-(5-chloro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxy-2-fluoroaniline (CID 172526366) is 4-[1-(5-chloro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxy-2-fluoroaniline.
What is the SMILES notation for 4-[1-(5-chloro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxy-2-fluoroaniline?
The canonical SMILES for 4-[1-(5-chloro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxy-2-fluoroaniline is Cc1ncc(-n2ccc(Oc3ccc(N)c(F)c3)n2)cc1Cl.
What is the InChIKey of 4-[1-(5-chloro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxy-2-fluoroaniline?
The InChIKey is FKXAMPBXJZJIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O/c1-9-12(16)6-10(8-19-9)21-5-4-15(20-21)22-11-2-3-14(18)13(17)7-11/h2-8H,18H2,1H3.
What are the key properties of 4-[1-(5-chloro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxy-2-fluoroaniline?
4-[1-(5-chloro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxy-2-fluoroaniline has a molecular weight of 318.74 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chloro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxy-2-fluoroaniline is sourced from PubChem (CID 172526366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).