5-chloro-4-N-[1-(3-fluorophenyl)ethyl]pyridine-3,4-diamine

C13H13ClFN3 — CID 114285843

IUPAC5-chloro-4-N-[1-(3-fluorophenyl)ethyl]pyridine-3,4-diamine
SMILESCC(Nc1c(N)cncc1Cl)c1cccc(F)c1
InChIInChI=1S/C13H13ClFN3/c1-8(9-3-2-4-10(15)5-9)18-13-11(14)6-17-7-12(13)16/h2-8H,16H2,1H3,(H,17,18)
InChIKeyXXAVGBPCXZQQMN-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.63
Rot. Bonds3

About 5-chloro-4-N-[1-(3-fluorophenyl)ethyl]pyridine-3,4-diamine

5-chloro-4-N-[1-(3-fluorophenyl)ethyl]pyridine-3,4-diamine (PubChem CID 114285843) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 5-chloro-4-N-[1-(3-fluorophenyl)ethyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[1-(3-fluorophenyl)ethyl]pyridine-3,4-diamine
PubChem CID114285843
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name5-chloro-4-N-[1-(3-fluorophenyl)ethyl]pyridine-3,4-diamine
SMILESCC(Nc1c(N)cncc1Cl)c1cccc(F)c1
InChIInChI=1S/C13H13ClFN3/c1-8(9-3-2-4-10(15)5-9)18-13-11(14)6-17-7-12(13)16/h2-8H,16H2,1H3,(H,17,18)
InChIKeyXXAVGBPCXZQQMN-UHFFFAOYSA-N
XLogP3.63
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine
CID 58869935
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
3,5-dichloro-N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine
CID 102761800
2,6-dibromo-N-[1-(3-fluorophenyl)ethyl]-4-methylaniline
CID 43126159
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
3-chloro-2-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
CID 43524029
5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801900
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine
CID 43690097
4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80801904
4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 62857670
3-[1-(3-fluorophenyl)ethylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
CID 87659149
4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine
CID 54964841

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[1-(3-fluorophenyl)ethyl]pyridine-3,4-diamine?
The IUPAC name of 5-chloro-4-N-[1-(3-fluorophenyl)ethyl]pyridine-3,4-diamine (CID 114285843) is 5-chloro-4-N-[1-(3-fluorophenyl)ethyl]pyridine-3,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[1-(3-fluorophenyl)ethyl]pyridine-3,4-diamine?
The canonical SMILES for 5-chloro-4-N-[1-(3-fluorophenyl)ethyl]pyridine-3,4-diamine is CC(Nc1c(N)cncc1Cl)c1cccc(F)c1.
What is the InChIKey of 5-chloro-4-N-[1-(3-fluorophenyl)ethyl]pyridine-3,4-diamine?
The InChIKey is XXAVGBPCXZQQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-8(9-3-2-4-10(15)5-9)18-13-11(14)6-17-7-12(13)16/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 5-chloro-4-N-[1-(3-fluorophenyl)ethyl]pyridine-3,4-diamine?
5-chloro-4-N-[1-(3-fluorophenyl)ethyl]pyridine-3,4-diamine has a molecular weight of 265.72 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[1-(3-fluorophenyl)ethyl]pyridine-3,4-diamine is sourced from PubChem (CID 114285843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).