6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxymethyl]pyridine-3-carboximidamide

C15H15Cl2FN4O — CID 91142757

IUPAC6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxymethyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc(N)c(COCCc2c(Cl)ccc(F)c2Cl)c1
InChIInChI=1S/C15H15Cl2FN4O/c16-11-1-2-12(18)13(17)10(11)3-4-23-7-9-5-8(14(19)20)6-22-15(9)21/h1-2,5-6H,3-4,7H2,(H3,19,20)(H2,21,22)
InChIKeyOQMARNLSLAQDAL-UHFFFAOYSA-N
MW357.22 g/mol
LogP3.15
Rot. Bonds6

About 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxymethyl]pyridine-3-carboximidamide

6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxymethyl]pyridine-3-carboximidamide (PubChem CID 91142757) has the molecular formula C15H15Cl2FN4O and a molecular weight of 357.22 g/mol. Its IUPAC name is 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxymethyl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxymethyl]pyridine-3-carboximidamide
PubChem CID91142757
Molecular FormulaC15H15Cl2FN4O
Molecular Weight357.22 g/mol
Exact Mass356.06
IUPAC Name6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxymethyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc(N)c(COCCc2c(Cl)ccc(F)c2Cl)c1
InChIInChI=1S/C15H15Cl2FN4O/c16-11-1-2-12(18)13(17)10(11)3-4-23-7-9-5-8(14(19)20)6-22-15(9)21/h1-2,5-6H,3-4,7H2,(H3,19,20)(H2,21,22)
InChIKeyOQMARNLSLAQDAL-UHFFFAOYSA-N
XLogP3.15
TPSA98.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxymethyl]pyridine-3-carboximidamide?
The IUPAC name of 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxymethyl]pyridine-3-carboximidamide (CID 91142757) is 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxymethyl]pyridine-3-carboximidamide.
What is the SMILES notation for 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxymethyl]pyridine-3-carboximidamide?
The canonical SMILES for 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxymethyl]pyridine-3-carboximidamide is [H]/N=C(\N)c1cnc(N)c(COCCc2c(Cl)ccc(F)c2Cl)c1.
What is the InChIKey of 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxymethyl]pyridine-3-carboximidamide?
The InChIKey is OQMARNLSLAQDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2FN4O/c16-11-1-2-12(18)13(17)10(11)3-4-23-7-9-5-8(14(19)20)6-22-15(9)21/h1-2,5-6H,3-4,7H2,(H3,19,20)(H2,21,22).
What are the key properties of 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxymethyl]pyridine-3-carboximidamide?
6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxymethyl]pyridine-3-carboximidamide has a molecular weight of 357.22 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxymethyl]pyridine-3-carboximidamide is sourced from PubChem (CID 91142757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).