3-[(5-chlorothiophen-2-yl)methoxy]pyridin-2-amine

C10H9ClN2OS — CID 43125741

IUPAC3-[(5-chlorothiophen-2-yl)methoxy]pyridin-2-amine
SMILESNc1ncccc1OCc1ccc(Cl)s1
InChIInChI=1S/C10H9ClN2OS/c11-9-4-3-7(15-9)6-14-8-2-1-5-13-10(8)12/h1-5H,6H2,(H2,12,13)
InChIKeyDSHMGKOXHLODTF-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.96
Rot. Bonds3

About 3-[(5-chlorothiophen-2-yl)methoxy]pyridin-2-amine

3-[(5-chlorothiophen-2-yl)methoxy]pyridin-2-amine (PubChem CID 43125741) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methoxy]pyridin-2-amine.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methoxy]pyridin-2-amine
PubChem CID43125741
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name3-[(5-chlorothiophen-2-yl)methoxy]pyridin-2-amine
SMILESNc1ncccc1OCc1ccc(Cl)s1
InChIInChI=1S/C10H9ClN2OS/c11-9-4-3-7(15-9)6-14-8-2-1-5-13-10(8)12/h1-5H,6H2,(H2,12,13)
InChIKeyDSHMGKOXHLODTF-UHFFFAOYSA-N
XLogP2.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Related Compounds

4,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]aniline
CID 107498892
4-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-amine
CID 63691859
3-(thiophen-3-ylmethoxy)pyridin-2-amine
CID 43646070
2-chloro-5-(phenoxymethyl)thiophene
CID 60655556
3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
CID 161236656
3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
CID 161313048
2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene
CID 43141982
[2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanamine
CID 60887305
3-[(4-fluoro-2-methylphenyl)methoxy]pyridin-2-amine
CID 114345632
3-[4-(4-chlorophenoxy)butoxy]pyridin-2-amine
CID 82055961
3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine
CID 106679263
(5-chlorothiophen-2-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 55640706

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)methoxy]pyridin-2-amine?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methoxy]pyridin-2-amine (CID 43125741) is 3-[(5-chlorothiophen-2-yl)methoxy]pyridin-2-amine.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methoxy]pyridin-2-amine?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methoxy]pyridin-2-amine is Nc1ncccc1OCc1ccc(Cl)s1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methoxy]pyridin-2-amine?
The InChIKey is DSHMGKOXHLODTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-9-4-3-7(15-9)6-14-8-2-1-5-13-10(8)12/h1-5H,6H2,(H2,12,13).
What are the key properties of 3-[(5-chlorothiophen-2-yl)methoxy]pyridin-2-amine?
3-[(5-chlorothiophen-2-yl)methoxy]pyridin-2-amine has a molecular weight of 240.72 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)methoxy]pyridin-2-amine is sourced from PubChem (CID 43125741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).