2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine

C11H10Cl2N2S — CID 65485112

IUPAC2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NCc1ccc(Cl)s1
InChIInChI=1S/C11H10Cl2N2S/c1-7-4-5-14-11(13)10(7)15-6-8-2-3-9(12)16-8/h2-5,15H,6H2,1H3
InChIKeyBTFLBXMDFZGLGV-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.37
Rot. Bonds3

About 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine

2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine (PubChem CID 65485112) has the molecular formula C11H10Cl2N2S and a molecular weight of 273.19 g/mol. Its IUPAC name is 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine
PubChem CID65485112
Molecular FormulaC11H10Cl2N2S
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NCc1ccc(Cl)s1
InChIInChI=1S/C11H10Cl2N2S/c1-7-4-5-14-11(13)10(7)15-6-8-2-3-9(12)16-8/h2-5,15H,6H2,1H3
InChIKeyBTFLBXMDFZGLGV-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 54.37
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-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyridin-3-amine
CID 65483729
N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063465
2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 65485686
N-[(4-tert-butylphenyl)methyl]-2-chloro-4-methylpyridin-3-amine
CID 65484317
2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine
CID 65489501
N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine
CID 83301712
4-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]benzamide
CID 65483750
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 62057964
1-(5-chlorothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305597
N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
CID 104599768
2-chloro-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-4-methylpyridin-3-amine
CID 83169560
2-chloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 65485316

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine (CID 65485112) is 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine is Cc1ccnc(Cl)c1NCc1ccc(Cl)s1.
What is the InChIKey of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine?
The InChIKey is BTFLBXMDFZGLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2S/c1-7-4-5-14-11(13)10(7)15-6-8-2-3-9(12)16-8/h2-5,15H,6H2,1H3.
What are the key properties of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine?
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine has a molecular weight of 273.19 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine is sourced from PubChem (CID 65485112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).