N-[(5-chlorothiophen-2-yl)methyl]-6-methoxy-3-nitropyridin-2-amine

C11H10ClN3O3S — CID 79883840

IUPACN-[(5-chlorothiophen-2-yl)methyl]-6-methoxy-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NCc2ccc(Cl)s2)n1
InChIInChI=1S/C11H10ClN3O3S/c1-18-10-5-3-8(15(16)17)11(14-10)13-6-7-2-4-9(12)19-7/h2-5H,6H2,1H3,(H,13,14)
InChIKeyZWNZVMYYRBNNKL-UHFFFAOYSA-N
MW299.74 g/mol
LogP3.33
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-6-methoxy-3-nitropyridin-2-amine

N-[(5-chlorothiophen-2-yl)methyl]-6-methoxy-3-nitropyridin-2-amine (PubChem CID 79883840) has the molecular formula C11H10ClN3O3S and a molecular weight of 299.74 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-6-methoxy-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-6-methoxy-3-nitropyridin-2-amine
PubChem CID79883840
Molecular FormulaC11H10ClN3O3S
Molecular Weight299.74 g/mol
Exact Mass299.01
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-6-methoxy-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NCc2ccc(Cl)s2)n1
InChIInChI=1S/C11H10ClN3O3S/c1-18-10-5-3-8(15(16)17)11(14-10)13-6-7-2-4-9(12)19-7/h2-5H,6H2,1H3,(H,13,14)
InChIKeyZWNZVMYYRBNNKL-UHFFFAOYSA-N
XLogP3.33
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 115321427
6-methoxy-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 79883257
N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine
CID 106900082
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-5-nitropyridin-2-amine
CID 80719127
6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 79881497
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
N-[(3-ethyl-2-pyridinyl)methyl]-6-methoxy-3-nitropyridin-2-amine
CID 82736234
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 22141713
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918200
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-N-methylpropanamide
CID 113286774
N-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]acetamide
CID 115321441

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-6-methoxy-3-nitropyridin-2-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-6-methoxy-3-nitropyridin-2-amine (CID 79883840) is N-[(5-chlorothiophen-2-yl)methyl]-6-methoxy-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-6-methoxy-3-nitropyridin-2-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-6-methoxy-3-nitropyridin-2-amine is COc1ccc([N+](=O)[O-])c(NCc2ccc(Cl)s2)n1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-6-methoxy-3-nitropyridin-2-amine?
The InChIKey is ZWNZVMYYRBNNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3S/c1-18-10-5-3-8(15(16)17)11(14-10)13-6-7-2-4-9(12)19-7/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-6-methoxy-3-nitropyridin-2-amine?
N-[(5-chlorothiophen-2-yl)methyl]-6-methoxy-3-nitropyridin-2-amine has a molecular weight of 299.74 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-6-methoxy-3-nitropyridin-2-amine is sourced from PubChem (CID 79883840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).