6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine

C10H10ClN3S — CID 115474154

IUPAC6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1NCc1ccsc1
InChIInChI=1S/C10H10ClN3S/c11-9-2-1-8(12)10(14-9)13-5-7-3-4-15-6-7/h1-4,6H,5,12H2,(H,13,14)
InChIKeyNLGCHMDHNNOMOM-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.99
Rot. Bonds3

About 6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine

6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine (PubChem CID 115474154) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine
PubChem CID115474154
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1NCc1ccsc1
InChIInChI=1S/C10H10ClN3S/c11-9-2-1-8(12)10(14-9)13-5-7-3-4-15-6-7/h1-4,6H,5,12H2,(H,13,14)
InChIKeyNLGCHMDHNNOMOM-UHFFFAOYSA-N
XLogP2.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(4-bromothiophen-2-yl)methyl]-6-chloropyridine-2,3-diamine
CID 115474210
6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine
CID 115474027
6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine
CID 79827377
6-chloro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,5-diamine
CID 63248168
6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine
CID 115474328
[3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231936
5-bromo-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 80828399
6-chloro-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63729876
6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80913941
3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol
CID 115473663
6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine
CID 115474161
2-chloro-N-(thiophen-3-ylmethyl)-7H-purin-6-amine
CID 104697682

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine (CID 115474154) is 6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine is Nc1ccc(Cl)nc1NCc1ccsc1.
What is the InChIKey of 6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine?
The InChIKey is NLGCHMDHNNOMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c11-9-2-1-8(12)10(14-9)13-5-7-3-4-15-6-7/h1-4,6H,5,12H2,(H,13,14).
What are the key properties of 6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine?
6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine has a molecular weight of 239.73 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 115474154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).