[2-chloro-5-(thiolan-3-yl)-3-pyridinyl]methanamine

C10H13ClN2S — CID 115036950

IUPAC[2-chloro-5-(thiolan-3-yl)-3-pyridinyl]methanamine
SMILESNCc1cc(C2CCSC2)cnc1Cl
InChIInChI=1S/C10H13ClN2S/c11-10-8(4-12)3-9(5-13-10)7-1-2-14-6-7/h3,5,7H,1-2,4,6,12H2
InChIKeyPPMJBVLYPMIYCX-UHFFFAOYSA-N
MW228.75 g/mol
LogP2.41
Rot. Bonds2

About [2-chloro-5-(thiolan-3-yl)-3-pyridinyl]methanamine

[2-chloro-5-(thiolan-3-yl)-3-pyridinyl]methanamine (PubChem CID 115036950) has the molecular formula C10H13ClN2S and a molecular weight of 228.75 g/mol. Its IUPAC name is [2-chloro-5-(thiolan-3-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-chloro-5-(thiolan-3-yl)-3-pyridinyl]methanamine
PubChem CID115036950
Molecular FormulaC10H13ClN2S
Molecular Weight228.75 g/mol
Exact Mass228.05
IUPAC Name[2-chloro-5-(thiolan-3-yl)-3-pyridinyl]methanamine
SMILESNCc1cc(C2CCSC2)cnc1Cl
InChIInChI=1S/C10H13ClN2S/c11-10-8(4-12)3-9(5-13-10)7-1-2-14-6-7/h3,5,7H,1-2,4,6,12H2
InChIKeyPPMJBVLYPMIYCX-UHFFFAOYSA-N
XLogP2.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.75
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-5-(pyrrolidin-3-yl)pyridine
CID 10535455
2-Chloro-3-methyl-5-(3-methylthiophen-2-yl)pyridine
CID 59590439
2-(((6-Chloropyridin-3-yl)methyl)thio)ethanamine
CID 43249530
2-{[(2-Chloropyridin-4-yl)methyl]sulfanyl}ethan-1-amine
CID 62470906
2-Chloro-5-(pyrrolidin-3-yl)pyridine dihydrochloride
CID 137935667
2-Chloro-3-methyl-5-(pyrrolidin-2-yl)pyridine
CID 53838420
(NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]thiolan-2-ylidene]nitramide
CID 76309290
(3aR,6aS)-5-(6-chloro-5-fluoro-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
CID 10354214
5-(6-Chloro-5-fluoro-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
CID 21892904
2-[(6-Chloro-5-fluoro-3-pyridinyl)methylamino]ethanethiol
CID 54214841
2-[(5-Chloro-6-fluoro-3-pyridinyl)methylamino]ethanethiol
CID 54449157
3-Chloro-5-(3-fluoropyrrolidin-3-yl)pyridine
CID 58408444

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(thiolan-3-yl)-3-pyridinyl]methanamine?
The IUPAC name of [2-chloro-5-(thiolan-3-yl)-3-pyridinyl]methanamine (CID 115036950) is [2-chloro-5-(thiolan-3-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-chloro-5-(thiolan-3-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-chloro-5-(thiolan-3-yl)-3-pyridinyl]methanamine is NCc1cc(C2CCSC2)cnc1Cl.
What is the InChIKey of [2-chloro-5-(thiolan-3-yl)-3-pyridinyl]methanamine?
The InChIKey is PPMJBVLYPMIYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2S/c11-10-8(4-12)3-9(5-13-10)7-1-2-14-6-7/h3,5,7H,1-2,4,6,12H2.
What are the key properties of [2-chloro-5-(thiolan-3-yl)-3-pyridinyl]methanamine?
[2-chloro-5-(thiolan-3-yl)-3-pyridinyl]methanamine has a molecular weight of 228.75 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(thiolan-3-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 115036950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).