2-chloro-6-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-5-carboximidoyl]aniline

C15H19ClFN3 — CID 168941717

IUPAC2-chloro-6-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-5-carboximidoyl]aniline
SMILES[H]/N=C(\C1=CCCN(CCCF)C1)c1cccc(Cl)c1N
InChIInChI=1S/C15H19ClFN3/c16-13-6-1-5-12(15(13)19)14(18)11-4-2-8-20(10-11)9-3-7-17/h1,4-6,18H,2-3,7-10,19H2/b18-14+
InChIKeyOUXHXMMVGNHSAK-NBVRZTHBSA-N
MW295.79 g/mol
LogP3.28
Rot. Bonds5

About 2-chloro-6-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-5-carboximidoyl]aniline

2-chloro-6-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-5-carboximidoyl]aniline (PubChem CID 168941717) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is 2-chloro-6-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-5-carboximidoyl]aniline.

Molecular Properties

Compound Name2-chloro-6-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-5-carboximidoyl]aniline
PubChem CID168941717
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC Name2-chloro-6-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-5-carboximidoyl]aniline
SMILES[H]/N=C(\C1=CCCN(CCCF)C1)c1cccc(Cl)c1N
InChIInChI=1S/C15H19ClFN3/c16-13-6-1-5-12(15(13)19)14(18)11-4-2-8-20(10-11)9-3-7-17/h1,4-6,18H,2-3,7-10,19H2/b18-14+
InChIKeyOUXHXMMVGNHSAK-NBVRZTHBSA-N
XLogP3.28
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-5-carboximidoyl]aniline?
The IUPAC name of 2-chloro-6-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-5-carboximidoyl]aniline (CID 168941717) is 2-chloro-6-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-5-carboximidoyl]aniline.
What is the SMILES notation for 2-chloro-6-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-5-carboximidoyl]aniline?
The canonical SMILES for 2-chloro-6-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-5-carboximidoyl]aniline is [H]/N=C(\C1=CCCN(CCCF)C1)c1cccc(Cl)c1N.
What is the InChIKey of 2-chloro-6-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-5-carboximidoyl]aniline?
The InChIKey is OUXHXMMVGNHSAK-NBVRZTHBSA-N. The full InChI is InChI=1S/C15H19ClFN3/c16-13-6-1-5-12(15(13)19)14(18)11-4-2-8-20(10-11)9-3-7-17/h1,4-6,18H,2-3,7-10,19H2/b18-14+.
What are the key properties of 2-chloro-6-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-5-carboximidoyl]aniline?
2-chloro-6-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-5-carboximidoyl]aniline has a molecular weight of 295.79 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridine-5-carboximidoyl]aniline is sourced from PubChem (CID 168941717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).