3-chloro-5-nitro-N-(1-thiophen-3-ylethyl)pyridin-2-amine

C11H10ClN3O2S — CID 114046558

IUPAC3-chloro-5-nitro-N-(1-thiophen-3-ylethyl)pyridin-2-amine
SMILESCC(Nc1ncc([N+](=O)[O-])cc1Cl)c1ccsc1
InChIInChI=1S/C11H10ClN3O2S/c1-7(8-2-3-18-6-8)14-11-10(12)4-9(5-13-11)15(16)17/h2-7H,1H3,(H,13,14)
InChIKeyHENMNVJSQNKTMK-UHFFFAOYSA-N
MW283.74 g/mol
LogP3.88
Rot. Bonds4

About 3-chloro-5-nitro-N-(1-thiophen-3-ylethyl)pyridin-2-amine

3-chloro-5-nitro-N-(1-thiophen-3-ylethyl)pyridin-2-amine (PubChem CID 114046558) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 3-chloro-5-nitro-N-(1-thiophen-3-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-nitro-N-(1-thiophen-3-ylethyl)pyridin-2-amine
PubChem CID114046558
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name3-chloro-5-nitro-N-(1-thiophen-3-ylethyl)pyridin-2-amine
SMILESCC(Nc1ncc([N+](=O)[O-])cc1Cl)c1ccsc1
InChIInChI=1S/C11H10ClN3O2S/c1-7(8-2-3-18-6-8)14-11-10(12)4-9(5-13-11)15(16)17/h2-7H,1H3,(H,13,14)
InChIKeyHENMNVJSQNKTMK-UHFFFAOYSA-N
XLogP3.88
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(3-chloro-5-nitro-2-pyridinyl)amino]ethyl]benzonitrile
CID 133333171
3-chloro-5-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 103886344
2,5-dichloro-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 79632615
(2S)-2-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 120964337
N-[(2-chloro-5-nitrophenyl)methyl]-1-thiophen-3-ylethanamine
CID 55121818
5-nitro-2-(1-thiophen-3-ylethylamino)benzoic acid
CID 62844063
3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 62477233
3,5-dinitro-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 91983831
4-iodo-2-nitro-N-(1-thiophen-3-ylethyl)aniline
CID 66065103
3-bromo-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 79534973
3-nitro-5-propan-2-yloxy-N-(1-thiophen-3-ylethyl)aniline
CID 80731798
5-nitro-2-N-(1-phenylethyl)pyridine-2,3-diamine
CID 21157439

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-nitro-N-(1-thiophen-3-ylethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-5-nitro-N-(1-thiophen-3-ylethyl)pyridin-2-amine (CID 114046558) is 3-chloro-5-nitro-N-(1-thiophen-3-ylethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-nitro-N-(1-thiophen-3-ylethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-5-nitro-N-(1-thiophen-3-ylethyl)pyridin-2-amine is CC(Nc1ncc([N+](=O)[O-])cc1Cl)c1ccsc1.
What is the InChIKey of 3-chloro-5-nitro-N-(1-thiophen-3-ylethyl)pyridin-2-amine?
The InChIKey is HENMNVJSQNKTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-7(8-2-3-18-6-8)14-11-10(12)4-9(5-13-11)15(16)17/h2-7H,1H3,(H,13,14).
What are the key properties of 3-chloro-5-nitro-N-(1-thiophen-3-ylethyl)pyridin-2-amine?
3-chloro-5-nitro-N-(1-thiophen-3-ylethyl)pyridin-2-amine has a molecular weight of 283.74 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-nitro-N-(1-thiophen-3-ylethyl)pyridin-2-amine is sourced from PubChem (CID 114046558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).