6-[5-(4-fluorophenyl)thiophen-2-yl]pyridine-3-carboximidamide

C16H12FN3S — CID 162639385

IUPAC6-[5-(4-fluorophenyl)thiophen-2-yl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(F)cc3)s2)nc1
InChIInChI=1S/C16H12FN3S/c17-12-4-1-10(2-5-12)14-7-8-15(21-14)13-6-3-11(9-20-13)16(18)19/h1-9H,(H3,18,19)
InChIKeySUBQJNALUJZQKT-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.90
Rot. Bonds3

About 6-[5-(4-fluorophenyl)thiophen-2-yl]pyridine-3-carboximidamide

6-[5-(4-fluorophenyl)thiophen-2-yl]pyridine-3-carboximidamide (PubChem CID 162639385) has the molecular formula C16H12FN3S and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)thiophen-2-yl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)thiophen-2-yl]pyridine-3-carboximidamide
PubChem CID162639385
Molecular FormulaC16H12FN3S
Molecular Weight297.36 g/mol
Exact Mass297.07
IUPAC Name6-[5-(4-fluorophenyl)thiophen-2-yl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(F)cc3)s2)nc1
InChIInChI=1S/C16H12FN3S/c17-12-4-1-10(2-5-12)14-7-8-15(21-14)13-6-3-11(9-20-13)16(18)19/h1-9H,(H3,18,19)
InChIKeySUBQJNALUJZQKT-UHFFFAOYSA-N
XLogP3.90
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[5-(4-fluorophenyl)thiophen-2-yl]pyridine-3-carboximidamide?
The IUPAC name of 6-[5-(4-fluorophenyl)thiophen-2-yl]pyridine-3-carboximidamide (CID 162639385) is 6-[5-(4-fluorophenyl)thiophen-2-yl]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[5-(4-fluorophenyl)thiophen-2-yl]pyridine-3-carboximidamide?
The canonical SMILES for 6-[5-(4-fluorophenyl)thiophen-2-yl]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(F)cc3)s2)nc1.
What is the InChIKey of 6-[5-(4-fluorophenyl)thiophen-2-yl]pyridine-3-carboximidamide?
The InChIKey is SUBQJNALUJZQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3S/c17-12-4-1-10(2-5-12)14-7-8-15(21-14)13-6-3-11(9-20-13)16(18)19/h1-9H,(H3,18,19).
What are the key properties of 6-[5-(4-fluorophenyl)thiophen-2-yl]pyridine-3-carboximidamide?
6-[5-(4-fluorophenyl)thiophen-2-yl]pyridine-3-carboximidamide has a molecular weight of 297.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)thiophen-2-yl]pyridine-3-carboximidamide is sourced from PubChem (CID 162639385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).