4-(4-chloro-3-pyridinyl)-3-fluoroaniline

C11H8ClFN2 — CID 163275681

IUPAC4-(4-chloro-3-pyridinyl)-3-fluoroaniline
SMILESNc1ccc(-c2cnccc2Cl)c(F)c1
InChIInChI=1S/C11H8ClFN2/c12-10-3-4-15-6-9(10)8-2-1-7(14)5-11(8)13/h1-6H,14H2
InChIKeyNAPYITWWUOIVQD-UHFFFAOYSA-N
MW222.65 g/mol
LogP3.12
Rot. Bonds1

About 4-(4-chloro-3-pyridinyl)-3-fluoroaniline

4-(4-chloro-3-pyridinyl)-3-fluoroaniline (PubChem CID 163275681) has the molecular formula C11H8ClFN2 and a molecular weight of 222.65 g/mol. Its IUPAC name is 4-(4-chloro-3-pyridinyl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(4-chloro-3-pyridinyl)-3-fluoroaniline
PubChem CID163275681
Molecular FormulaC11H8ClFN2
Molecular Weight222.65 g/mol
Exact Mass222.04
IUPAC Name4-(4-chloro-3-pyridinyl)-3-fluoroaniline
SMILESNc1ccc(-c2cnccc2Cl)c(F)c1
InChIInChI=1S/C11H8ClFN2/c12-10-3-4-15-6-9(10)8-2-1-7(14)5-11(8)13/h1-6H,14H2
InChIKeyNAPYITWWUOIVQD-UHFFFAOYSA-N
XLogP3.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-fluoroaniline
CID 2736511
4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline
CID 79840437
3-fluoro-4-(2,4,6-trichlorophenyl)aniline
CID 105349877
3-chloro-5-(2,4-difluorophenyl)pyridin-4-amine
CID 176730012
4-[(3-chloro-4-pyridinyl)sulfanyl]-3,5-difluoroaniline
CID 79840737
4-(2,4-difluorophenyl)-3-fluoroaniline
CID 57415152
4-chloro-3-(2,4,6-trichlorophenyl)pyridine
CID 134636075
2-(4-amino-2-fluorophenyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 55204224
3-fluoro-4-(2-fluoro-4-methylphenyl)aniline
CID 90222645
4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline
CID 102708661
3-fluoro-4-[(3-phenyl-4-pyridinyl)oxy]aniline
CID 89231827
4-(2-aminophenyl)-3-fluoroaniline
CID 68788831

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-pyridinyl)-3-fluoroaniline?
The IUPAC name of 4-(4-chloro-3-pyridinyl)-3-fluoroaniline (CID 163275681) is 4-(4-chloro-3-pyridinyl)-3-fluoroaniline.
What is the SMILES notation for 4-(4-chloro-3-pyridinyl)-3-fluoroaniline?
The canonical SMILES for 4-(4-chloro-3-pyridinyl)-3-fluoroaniline is Nc1ccc(-c2cnccc2Cl)c(F)c1.
What is the InChIKey of 4-(4-chloro-3-pyridinyl)-3-fluoroaniline?
The InChIKey is NAPYITWWUOIVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2/c12-10-3-4-15-6-9(10)8-2-1-7(14)5-11(8)13/h1-6H,14H2.
What are the key properties of 4-(4-chloro-3-pyridinyl)-3-fluoroaniline?
4-(4-chloro-3-pyridinyl)-3-fluoroaniline has a molecular weight of 222.65 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-pyridinyl)-3-fluoroaniline is sourced from PubChem (CID 163275681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).