6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine

C12H9Cl2F3N2S — CID 102715602

IUPAC6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCN(Cc1ccc(Cl)s1)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C12H9Cl2F3N2S/c1-19(6-8-2-3-10(14)20-8)11-5-7(12(15,16)17)4-9(13)18-11/h2-5H,6H2,1H3
InChIKeyLRBUIKMKVLTTBH-UHFFFAOYSA-N
MW341.19 g/mol
LogP5.11
Rot. Bonds3

About 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102715602) has the molecular formula C12H9Cl2F3N2S and a molecular weight of 341.19 g/mol. Its IUPAC name is 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102715602
Molecular FormulaC12H9Cl2F3N2S
Molecular Weight341.19 g/mol
Exact Mass339.98
IUPAC Name6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCN(Cc1ccc(Cl)s1)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C12H9Cl2F3N2S/c1-19(6-8-2-3-10(14)20-8)11-5-7(12(15,16)17)4-9(13)18-11/h2-5H,6H2,1H3
InChIKeyLRBUIKMKVLTTBH-UHFFFAOYSA-N
XLogP5.11
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.19
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715585
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 63586888
6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715603
6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715487
4-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 61442160
1-N-[(5-chlorothiophen-2-yl)methyl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 61438246
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]quinolin-4-yl]methanol
CID 61442554
3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid
CID 61439995
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965959
4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80799386
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 102715710
6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715792

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine (CID 102715602) is 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine is CN(Cc1ccc(Cl)s1)c1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LRBUIKMKVLTTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2F3N2S/c1-19(6-8-2-3-10(14)20-8)11-5-7(12(15,16)17)4-9(13)18-11/h2-5H,6H2,1H3.
What are the key properties of 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 341.19 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102715602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).