3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-chlorothiophen-2-yl)pyridin-2-amine

C16H10Cl2FN3S — CID 144647104

IUPAC3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-chlorothiophen-2-yl)pyridin-2-amine
SMILES[H]/N=C(\c1ccc(Cl)cc1F)c1c(-c2ccc(Cl)s2)ccnc1N
InChIInChI=1S/C16H10Cl2FN3S/c17-8-1-2-9(11(19)7-8)15(20)14-10(5-6-22-16(14)21)12-3-4-13(18)23-12/h1-7,20H,(H2,21,22)/b20-15+
InChIKeyREYHDSWQIXZTJW-HMMYKYKNSA-N
MW366.25 g/mol
LogP5.25
Rot. Bonds3

About 3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-chlorothiophen-2-yl)pyridin-2-amine

3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-chlorothiophen-2-yl)pyridin-2-amine (PubChem CID 144647104) has the molecular formula C16H10Cl2FN3S and a molecular weight of 366.25 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-chlorothiophen-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-chlorothiophen-2-yl)pyridin-2-amine
PubChem CID144647104
Molecular FormulaC16H10Cl2FN3S
Molecular Weight366.25 g/mol
Exact Mass365.00
IUPAC Name3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-chlorothiophen-2-yl)pyridin-2-amine
SMILES[H]/N=C(\c1ccc(Cl)cc1F)c1c(-c2ccc(Cl)s2)ccnc1N
InChIInChI=1S/C16H10Cl2FN3S/c17-8-1-2-9(11(19)7-8)15(20)14-10(5-6-22-16(14)21)12-3-4-13(18)23-12/h1-7,20H,(H2,21,22)/b20-15+
InChIKeyREYHDSWQIXZTJW-HMMYKYKNSA-N
XLogP5.25
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.25
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-chlorothiophen-2-yl)pyridin-2-amine?
The IUPAC name of 3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-chlorothiophen-2-yl)pyridin-2-amine (CID 144647104) is 3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-chlorothiophen-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-chlorothiophen-2-yl)pyridin-2-amine?
The canonical SMILES for 3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-chlorothiophen-2-yl)pyridin-2-amine is [H]/N=C(\c1ccc(Cl)cc1F)c1c(-c2ccc(Cl)s2)ccnc1N.
What is the InChIKey of 3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-chlorothiophen-2-yl)pyridin-2-amine?
The InChIKey is REYHDSWQIXZTJW-HMMYKYKNSA-N. The full InChI is InChI=1S/C16H10Cl2FN3S/c17-8-1-2-9(11(19)7-8)15(20)14-10(5-6-22-16(14)21)12-3-4-13(18)23-12/h1-7,20H,(H2,21,22)/b20-15+.
What are the key properties of 3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-chlorothiophen-2-yl)pyridin-2-amine?
3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-chlorothiophen-2-yl)pyridin-2-amine has a molecular weight of 366.25 g/mol, XLogP of 5.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-chlorothiophen-2-yl)pyridin-2-amine is sourced from PubChem (CID 144647104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).