5-chloro-3-fluoro-N-(thian-2-ylmethyl)pyridin-2-amine

C11H14ClFN2S — CID 80613239

IUPAC5-chloro-3-fluoro-N-(thian-2-ylmethyl)pyridin-2-amine
SMILESFc1cc(Cl)cnc1NCC1CCCCS1
InChIInChI=1S/C11H14ClFN2S/c12-8-5-10(13)11(14-6-8)15-7-9-3-1-2-4-16-9/h5-6,9H,1-4,7H2,(H,14,15)
InChIKeyRTNNFAUULDBPEN-UHFFFAOYSA-N
MW260.76 g/mol
LogP3.57
Rot. Bonds3

About 5-chloro-3-fluoro-N-(thian-2-ylmethyl)pyridin-2-amine

5-chloro-3-fluoro-N-(thian-2-ylmethyl)pyridin-2-amine (PubChem CID 80613239) has the molecular formula C11H14ClFN2S and a molecular weight of 260.76 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-(thian-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-(thian-2-ylmethyl)pyridin-2-amine
PubChem CID80613239
Molecular FormulaC11H14ClFN2S
Molecular Weight260.76 g/mol
Exact Mass260.06
IUPAC Name5-chloro-3-fluoro-N-(thian-2-ylmethyl)pyridin-2-amine
SMILESFc1cc(Cl)cnc1NCC1CCCCS1
InChIInChI=1S/C11H14ClFN2S/c12-8-5-10(13)11(14-6-8)15-7-9-3-1-2-4-16-9/h5-6,9H,1-4,7H2,(H,14,15)
InChIKeyRTNNFAUULDBPEN-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-(thian-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-(thian-2-ylmethyl)pyridin-2-amine (CID 80613239) is 5-chloro-3-fluoro-N-(thian-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-(thian-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-(thian-2-ylmethyl)pyridin-2-amine is Fc1cc(Cl)cnc1NCC1CCCCS1.
What is the InChIKey of 5-chloro-3-fluoro-N-(thian-2-ylmethyl)pyridin-2-amine?
The InChIKey is RTNNFAUULDBPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2S/c12-8-5-10(13)11(14-6-8)15-7-9-3-1-2-4-16-9/h5-6,9H,1-4,7H2,(H,14,15).
What are the key properties of 5-chloro-3-fluoro-N-(thian-2-ylmethyl)pyridin-2-amine?
5-chloro-3-fluoro-N-(thian-2-ylmethyl)pyridin-2-amine has a molecular weight of 260.76 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-(thian-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 80613239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).