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

C10H8Cl2N2S — CID 79839873

IUPAC3-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyridin-4-amine
SMILESClc1ccc(CNc2ccncc2Cl)s1
InChIInChI=1S/C10H8Cl2N2S/c11-8-6-13-4-3-9(8)14-5-7-1-2-10(12)15-7/h1-4,6H,5H2,(H,13,14)
InChIKeyADLNSFFMVVGAGJ-UHFFFAOYSA-N
MW259.16 g/mol
LogP4.06
Rot. Bonds3

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

3-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyridin-4-amine (PubChem CID 79839873) has the molecular formula C10H8Cl2N2S and a molecular weight of 259.16 g/mol. Its IUPAC name is 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyridin-4-amine
PubChem CID79839873
Molecular FormulaC10H8Cl2N2S
Molecular Weight259.16 g/mol
Exact Mass257.98
IUPAC Name3-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyridin-4-amine
SMILESClc1ccc(CNc2ccncc2Cl)s1
InChIInChI=1S/C10H8Cl2N2S/c11-8-6-13-4-3-9(8)14-5-7-1-2-10(12)15-7/h1-4,6H,5H2,(H,13,14)
InChIKeyADLNSFFMVVGAGJ-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine
CID 114700905
1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine
CID 115303812
4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-methylpyridazin-3-one
CID 113235057
4-N-[(5-chlorothiophen-2-yl)methyl]quinoline-4,7-diamine
CID 103001265
3-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707585
3-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 104776991
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine
CID 79839987
[4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanol
CID 111777982
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43674460
3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 79839877
methyl 2-[5-[[(4-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate
CID 83165921
N-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine
CID 43730787

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyridin-4-amine (CID 79839873) is 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyridin-4-amine is Clc1ccc(CNc2ccncc2Cl)s1.
What is the InChIKey of 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyridin-4-amine?
The InChIKey is ADLNSFFMVVGAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2S/c11-8-6-13-4-3-9(8)14-5-7-1-2-10(12)15-7/h1-4,6H,5H2,(H,13,14).
What are the key properties of 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyridin-4-amine?
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyridin-4-amine has a molecular weight of 259.16 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 79839873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).