3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine

C13H12ClFN2 — CID 79838916

IUPAC3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine
SMILESCC(Nc1ccncc1Cl)c1ccccc1F
InChIInChI=1S/C13H12ClFN2/c1-9(10-4-2-3-5-12(10)15)17-13-6-7-16-8-11(13)14/h2-9H,1H3,(H,16,17)
InChIKeyHNFMLYWFOFFJJI-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.05
Rot. Bonds3

About 3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine

3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine (PubChem CID 79838916) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine
PubChem CID79838916
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine
SMILESCC(Nc1ccncc1Cl)c1ccccc1F
InChIInChI=1S/C13H12ClFN2/c1-9(10-4-2-3-5-12(10)15)17-13-6-7-16-8-11(13)14/h2-9H,1H3,(H,16,17)
InChIKeyHNFMLYWFOFFJJI-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

3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 79769972
4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54964707
3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine
CID 79840895
2-chloro-N-[1-(2-fluorophenyl)ethyl]-1,7-naphthyridin-4-amine
CID 174901234
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
2,4,5-trichloro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43108233
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine
CID 79839779
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
CID 29291765
2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43192515
3-[(3-chloro-4-pyridinyl)amino]butan-2-ol
CID 126992331
6-chloro-N-[1-(2-fluorophenyl)ethyl]quinolin-8-amine
CID 43672450

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine (CID 79838916) is 3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine is CC(Nc1ccncc1Cl)c1ccccc1F.
What is the InChIKey of 3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine?
The InChIKey is HNFMLYWFOFFJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-9(10-4-2-3-5-12(10)15)17-13-6-7-16-8-11(13)14/h2-9H,1H3,(H,16,17).
What are the key properties of 3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine?
3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine 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-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine is sourced from PubChem (CID 79838916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).