2-chloro-4-fluoro-6-(1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl)aniline

C13H15ClFN3 — CID 168941499

IUPAC2-chloro-4-fluoro-6-(1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl)aniline
SMILES[H]/N=C(\C1=CCCN(C)C1)c1cc(F)cc(Cl)c1N
InChIInChI=1S/C13H15ClFN3/c1-18-4-2-3-8(7-18)12(16)10-5-9(15)6-11(14)13(10)17/h3,5-6,16H,2,4,7,17H2,1H3/b16-12+
InChIKeyHZYRYJXUNUEERD-FOWTUZBSSA-N
MW267.73 g/mol
LogP2.69
Rot. Bonds2

About 2-chloro-4-fluoro-6-(1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl)aniline

2-chloro-4-fluoro-6-(1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl)aniline (PubChem CID 168941499) has the molecular formula C13H15ClFN3 and a molecular weight of 267.73 g/mol. Its IUPAC name is 2-chloro-4-fluoro-6-(1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl)aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-6-(1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl)aniline
PubChem CID168941499
Molecular FormulaC13H15ClFN3
Molecular Weight267.73 g/mol
Exact Mass267.09
IUPAC Name2-chloro-4-fluoro-6-(1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl)aniline
SMILES[H]/N=C(\C1=CCCN(C)C1)c1cc(F)cc(Cl)c1N
InChIInChI=1S/C13H15ClFN3/c1-18-4-2-3-8(7-18)12(16)10-5-9(15)6-11(14)13(10)17/h3,5-6,16H,2,4,7,17H2,1H3/b16-12+
InChIKeyHZYRYJXUNUEERD-FOWTUZBSSA-N
XLogP2.69
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 52.69
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-4-fluoro-6-(1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl)aniline?
The IUPAC name of 2-chloro-4-fluoro-6-(1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl)aniline (CID 168941499) is 2-chloro-4-fluoro-6-(1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl)aniline.
What is the SMILES notation for 2-chloro-4-fluoro-6-(1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl)aniline?
The canonical SMILES for 2-chloro-4-fluoro-6-(1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl)aniline is [H]/N=C(\C1=CCCN(C)C1)c1cc(F)cc(Cl)c1N.
What is the InChIKey of 2-chloro-4-fluoro-6-(1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl)aniline?
The InChIKey is HZYRYJXUNUEERD-FOWTUZBSSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-18-4-2-3-8(7-18)12(16)10-5-9(15)6-11(14)13(10)17/h3,5-6,16H,2,4,7,17H2,1H3/b16-12+.
What are the key properties of 2-chloro-4-fluoro-6-(1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl)aniline?
2-chloro-4-fluoro-6-(1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl)aniline has a molecular weight of 267.73 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-6-(1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl)aniline is sourced from PubChem (CID 168941499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).