3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline

C13H12ClFN2 — CID 43119234

IUPAC3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
SMILESCC(Nc1ccc(F)c(Cl)c1)c1ccccn1
InChIInChI=1S/C13H12ClFN2/c1-9(13-4-2-3-7-16-13)17-10-5-6-12(15)11(14)8-10/h2-9,17H,1H3
InChIKeySGFXXTHFJSZTJT-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.05
Rot. Bonds3

About 3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline

3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline (PubChem CID 43119234) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
PubChem CID43119234
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
SMILESCC(Nc1ccc(F)c(Cl)c1)c1ccccn1
InChIInChI=1S/C13H12ClFN2/c1-9(13-4-2-3-7-16-13)17-10-5-6-12(15)11(14)8-10/h2-9,17H,1H3
InChIKeySGFXXTHFJSZTJT-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
3-bromo-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 113354964
3-chloro-5-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 113347242
3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 54863996
N-[2-fluoro-5-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 60928627
2-fluoro-4-(1-pyridin-2-ylethylamino)benzonitrile
CID 113295538
4-chloro-5-fluoro-2-nitro-N-(1-pyridin-2-ylethyl)aniline
CID 66076600
4-chloro-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43524369
N-[1-(3-chloro-4-fluorophenyl)ethyl]quinolin-6-amine
CID 62636651
N-(3-chloro-4-fluorophenyl)pyridin-2-amine
CID 28829534
(1R)-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-pyridin-2-ylethanamine
CID 81402040
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline?
The IUPAC name of 3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline (CID 43119234) is 3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline?
The canonical SMILES for 3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline is CC(Nc1ccc(F)c(Cl)c1)c1ccccn1.
What is the InChIKey of 3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline?
The InChIKey is SGFXXTHFJSZTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-9(13-4-2-3-7-16-13)17-10-5-6-12(15)11(14)8-10/h2-9,17H,1H3.
What are the key properties of 3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline?
3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline has a molecular weight of 250.70 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 43119234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).