2-chloro-N-[1-(2-fluorophenyl)ethyl]-1,7-naphthyridin-4-amine

C16H13ClFN3 — CID 174901234

IUPAC2-chloro-N-[1-(2-fluorophenyl)ethyl]-1,7-naphthyridin-4-amine
SMILESCC(Nc1cc(Cl)nc2cnccc12)c1ccccc1F
InChIInChI=1S/C16H13ClFN3/c1-10(11-4-2-3-5-13(11)18)20-14-8-16(17)21-15-9-19-7-6-12(14)15/h2-10H,1H3,(H,20,21)
InChIKeyWHDHDKWNJDFJLR-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.60
Rot. Bonds3

About 2-chloro-N-[1-(2-fluorophenyl)ethyl]-1,7-naphthyridin-4-amine

2-chloro-N-[1-(2-fluorophenyl)ethyl]-1,7-naphthyridin-4-amine (PubChem CID 174901234) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-fluorophenyl)ethyl]-1,7-naphthyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(2-fluorophenyl)ethyl]-1,7-naphthyridin-4-amine
PubChem CID174901234
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name2-chloro-N-[1-(2-fluorophenyl)ethyl]-1,7-naphthyridin-4-amine
SMILESCC(Nc1cc(Cl)nc2cnccc12)c1ccccc1F
InChIInChI=1S/C16H13ClFN3/c1-10(11-4-2-3-5-13(11)18)20-14-8-16(17)21-15-9-19-7-6-12(14)15/h2-10H,1H3,(H,20,21)
InChIKeyWHDHDKWNJDFJLR-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 79838916
4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54964707
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
6-chloro-N-[1-(2-fluorophenyl)ethyl]quinolin-8-amine
CID 43672450
6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 63586892
6-chloro-2-N-[1-(2-fluorophenyl)ethyl]pyridine-2,3-diamine
CID 115473918
3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 79769972
4-chloro-N-[1-(2-fluorophenyl)ethyl]phthalazin-1-amine
CID 62142318
5-chloro-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801581
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
CID 29291765

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-fluorophenyl)ethyl]-1,7-naphthyridin-4-amine?
The IUPAC name of 2-chloro-N-[1-(2-fluorophenyl)ethyl]-1,7-naphthyridin-4-amine (CID 174901234) is 2-chloro-N-[1-(2-fluorophenyl)ethyl]-1,7-naphthyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[1-(2-fluorophenyl)ethyl]-1,7-naphthyridin-4-amine?
The canonical SMILES for 2-chloro-N-[1-(2-fluorophenyl)ethyl]-1,7-naphthyridin-4-amine is CC(Nc1cc(Cl)nc2cnccc12)c1ccccc1F.
What is the InChIKey of 2-chloro-N-[1-(2-fluorophenyl)ethyl]-1,7-naphthyridin-4-amine?
The InChIKey is WHDHDKWNJDFJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-10(11-4-2-3-5-13(11)18)20-14-8-16(17)21-15-9-19-7-6-12(14)15/h2-10H,1H3,(H,20,21).
What are the key properties of 2-chloro-N-[1-(2-fluorophenyl)ethyl]-1,7-naphthyridin-4-amine?
2-chloro-N-[1-(2-fluorophenyl)ethyl]-1,7-naphthyridin-4-amine has a molecular weight of 301.75 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-fluorophenyl)ethyl]-1,7-naphthyridin-4-amine is sourced from PubChem (CID 174901234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).