3,5-dichloro-N-[(3-fluoro-4-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine

C13H8Cl2FN3S — CID 170644333

IUPAC3,5-dichloro-N-[(3-fluoro-4-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine
SMILESFc1cnccc1CNc1cc(Cl)nc2c(Cl)csc12
InChIInChI=1S/C13H8Cl2FN3S/c14-8-6-20-13-10(3-11(15)19-12(8)13)18-4-7-1-2-17-5-9(7)16/h1-3,5-6H,4H2,(H,18,19)
InChIKeyOOXXKKAYALYBAQ-UHFFFAOYSA-N
MW328.20 g/mol
LogP4.75
Rot. Bonds3

About 3,5-dichloro-N-[(3-fluoro-4-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine

3,5-dichloro-N-[(3-fluoro-4-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine (PubChem CID 170644333) has the molecular formula C13H8Cl2FN3S and a molecular weight of 328.20 g/mol. Its IUPAC name is 3,5-dichloro-N-[(3-fluoro-4-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[(3-fluoro-4-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine
PubChem CID170644333
Molecular FormulaC13H8Cl2FN3S
Molecular Weight328.20 g/mol
Exact Mass326.98
IUPAC Name3,5-dichloro-N-[(3-fluoro-4-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine
SMILESFc1cnccc1CNc1cc(Cl)nc2c(Cl)csc12
InChIInChI=1S/C13H8Cl2FN3S/c14-8-6-20-13-10(3-11(15)19-12(8)13)18-4-7-1-2-17-5-9(7)16/h1-3,5-6H,4H2,(H,18,19)
InChIKeyOOXXKKAYALYBAQ-UHFFFAOYSA-N
XLogP4.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(3-fluoro-4-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine?
The IUPAC name of 3,5-dichloro-N-[(3-fluoro-4-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine (CID 170644333) is 3,5-dichloro-N-[(3-fluoro-4-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 3,5-dichloro-N-[(3-fluoro-4-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 3,5-dichloro-N-[(3-fluoro-4-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine is Fc1cnccc1CNc1cc(Cl)nc2c(Cl)csc12.
What is the InChIKey of 3,5-dichloro-N-[(3-fluoro-4-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine?
The InChIKey is OOXXKKAYALYBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FN3S/c14-8-6-20-13-10(3-11(15)19-12(8)13)18-4-7-1-2-17-5-9(7)16/h1-3,5-6H,4H2,(H,18,19).
What are the key properties of 3,5-dichloro-N-[(3-fluoro-4-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine?
3,5-dichloro-N-[(3-fluoro-4-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine has a molecular weight of 328.20 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(3-fluoro-4-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 170644333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).