3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline

C14H13ClF2N2 — CID 112582927

IUPAC3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
SMILESCCC(Nc1cccc(Cl)c1F)c1ccc(F)cn1
InChIInChI=1S/C14H13ClF2N2/c1-2-11(12-7-6-9(16)8-18-12)19-13-5-3-4-10(15)14(13)17/h3-8,11,19H,2H2,1H3
InChIKeyQPKAXGDDTGUSEB-UHFFFAOYSA-N
MW282.72 g/mol
LogP4.58
Rot. Bonds4

About 3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline

3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline (PubChem CID 112582927) has the molecular formula C14H13ClF2N2 and a molecular weight of 282.72 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
PubChem CID112582927
Molecular FormulaC14H13ClF2N2
Molecular Weight282.72 g/mol
Exact Mass282.07
IUPAC Name3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
SMILESCCC(Nc1cccc(Cl)c1F)c1ccc(F)cn1
InChIInChI=1S/C14H13ClF2N2/c1-2-11(12-7-6-9(16)8-18-12)19-13-5-3-4-10(15)14(13)17/h3-8,11,19H,2H2,1H3
InChIKeyQPKAXGDDTGUSEB-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 115938515
2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 115938659
1-[2-[1-(5-fluoro-2-pyridinyl)propylamino]phenyl]ethanol
CID 115938696
N-[1-(5-fluoro-2-pyridinyl)propyl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
CID 115938553
3-N-[1-(5-fluoro-2-pyridinyl)propyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 115938549
4-bromo-2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 115938475
2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582924
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 103936838
N-[1-(5-fluoro-2-pyridinyl)propyl]-2-propan-2-yloxypyridin-3-amine
CID 115938692
3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582851
N-[1-(2-chlorophenyl)propan-2-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115938502
2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline
CID 112582820

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
The IUPAC name of 3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline (CID 112582927) is 3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline.
What is the SMILES notation for 3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
The canonical SMILES for 3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline is CCC(Nc1cccc(Cl)c1F)c1ccc(F)cn1.
What is the InChIKey of 3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
The InChIKey is QPKAXGDDTGUSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2/c1-2-11(12-7-6-9(16)8-18-12)19-13-5-3-4-10(15)14(13)17/h3-8,11,19H,2H2,1H3.
What are the key properties of 3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline has a molecular weight of 282.72 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline is sourced from PubChem (CID 112582927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).