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

C17H13ClFN3S — CID 144646993

IUPAC3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine
SMILES[H]/N=C(\c1ccc(Cl)cc1F)c1c(-c2ccc(C)s2)ccnc1N
InChIInChI=1S/C17H13ClFN3S/c1-9-2-5-14(23-9)12-6-7-22-17(21)15(12)16(20)11-4-3-10(18)8-13(11)19/h2-8,20H,1H3,(H2,21,22)/b20-16+
InChIKeyVUZLAWOXTQIPTE-CAPFRKAQSA-N
MW345.83 g/mol
LogP4.91
Rot. Bonds3

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

3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine (PubChem CID 144646993) has the molecular formula C17H13ClFN3S and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine
PubChem CID144646993
Molecular FormulaC17H13ClFN3S
Molecular Weight345.83 g/mol
Exact Mass345.05
IUPAC Name3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine
SMILES[H]/N=C(\c1ccc(Cl)cc1F)c1c(-c2ccc(C)s2)ccnc1N
InChIInChI=1S/C17H13ClFN3S/c1-9-2-5-14(23-9)12-6-7-22-17(21)15(12)16(20)11-4-3-10(18)8-13(11)19/h2-8,20H,1H3,(H2,21,22)/b20-16+
InChIKeyVUZLAWOXTQIPTE-CAPFRKAQSA-N
XLogP4.91
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.91
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-methylthiophen-2-yl)pyridin-2-amine?
The IUPAC name of 3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine (CID 144646993) is 3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine?
The canonical SMILES for 3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine is [H]/N=C(\c1ccc(Cl)cc1F)c1c(-c2ccc(C)s2)ccnc1N.
What is the InChIKey of 3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine?
The InChIKey is VUZLAWOXTQIPTE-CAPFRKAQSA-N. The full InChI is InChI=1S/C17H13ClFN3S/c1-9-2-5-14(23-9)12-6-7-22-17(21)15(12)16(20)11-4-3-10(18)8-13(11)19/h2-8,20H,1H3,(H2,21,22)/b20-16+.
What are the key properties of 3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine?
3-(4-chloro-2-fluorobenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine has a molecular weight of 345.83 g/mol, XLogP of 4.91, 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-methylthiophen-2-yl)pyridin-2-amine is sourced from PubChem (CID 144646993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).