6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitropyridin-2-amine

C11H12ClN5O2 — CID 114070886

IUPAC6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitropyridin-2-amine
SMILESCCc1nn(C)cc1Nc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C11H12ClN5O2/c1-3-8-9(6-16(2)15-8)13-11-5-7(17(18)19)4-10(12)14-11/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyITFNWCNGGKKYNM-UHFFFAOYSA-N
MW281.70 g/mol
LogP2.68
Rot. Bonds4

About 6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitropyridin-2-amine

6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitropyridin-2-amine (PubChem CID 114070886) has the molecular formula C11H12ClN5O2 and a molecular weight of 281.70 g/mol. Its IUPAC name is 6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitropyridin-2-amine
PubChem CID114070886
Molecular FormulaC11H12ClN5O2
Molecular Weight281.70 g/mol
Exact Mass281.07
IUPAC Name6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitropyridin-2-amine
SMILESCCc1nn(C)cc1Nc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C11H12ClN5O2/c1-3-8-9(6-16(2)15-8)13-11-5-7(17(18)19)4-10(12)14-11/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyITFNWCNGGKKYNM-UHFFFAOYSA-N
XLogP2.68
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine
CID 107465279
3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine
CID 107463745
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine
CID 103908163
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine
CID 103908160
N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitro-1,3-benzoxazol-2-amine
CID 107463583
N-(3-ethyl-1-methylpyrazol-4-yl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107465281
6-chloro-N-(2-fluoro-5-methylphenyl)-4-nitropyridin-2-amine
CID 114070777
N-(2-bromo-4-chlorophenyl)-6-chloro-4-nitropyridin-2-amine
CID 114070862
3-ethyl-N-[(2-methoxy-5-nitrophenyl)methyl]-1-methylpyrazol-4-amine
CID 107462923
N-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine
CID 113349603
N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103911726
5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-nitrobenzoic acid
CID 107463417

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitropyridin-2-amine (CID 114070886) is 6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitropyridin-2-amine is CCc1nn(C)cc1Nc1cc([N+](=O)[O-])cc(Cl)n1.
What is the InChIKey of 6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitropyridin-2-amine?
The InChIKey is ITFNWCNGGKKYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2/c1-3-8-9(6-16(2)15-8)13-11-5-7(17(18)19)4-10(12)14-11/h4-6H,3H2,1-2H3,(H,13,14).
What are the key properties of 6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitropyridin-2-amine?
6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitropyridin-2-amine has a molecular weight of 281.70 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitropyridin-2-amine is sourced from PubChem (CID 114070886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).