(1R)-1-(6-chloro-5-nitro-3-pyridinyl)-N-methylethanamine

C8H10ClN3O2 — CID 130699268

IUPAC(1R)-1-(6-chloro-5-nitro-3-pyridinyl)-N-methylethanamine
SMILESCN[C@H](C)c1cnc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C8H10ClN3O2/c1-5(10-2)6-3-7(12(13)14)8(9)11-4-6/h3-5,10H,1-2H3/t5-/m1/s1
InChIKeyPOGVDZQNHXZMPW-RXMQYKEDSA-N
MW215.64 g/mol
LogP1.92
Rot. Bonds3

About (1R)-1-(6-chloro-5-nitro-3-pyridinyl)-N-methylethanamine

(1R)-1-(6-chloro-5-nitro-3-pyridinyl)-N-methylethanamine (PubChem CID 130699268) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is (1R)-1-(6-chloro-5-nitro-3-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name(1R)-1-(6-chloro-5-nitro-3-pyridinyl)-N-methylethanamine
PubChem CID130699268
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name(1R)-1-(6-chloro-5-nitro-3-pyridinyl)-N-methylethanamine
SMILESCN[C@H](C)c1cnc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C8H10ClN3O2/c1-5(10-2)6-3-7(12(13)14)8(9)11-4-6/h3-5,10H,1-2H3/t5-/m1/s1
InChIKeyPOGVDZQNHXZMPW-RXMQYKEDSA-N
XLogP1.92
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-chloro-3-nitro-5-(1,2,2-trifluoroethyl)pyridine
CID 87510432
2-chloro-5-methyl-3-nitropyridine
CID 139082293
4-bromo-1-(6-chloro-5-nitro-3-pyridinyl)butane-1,2-diol
CID 171892378
2-chloro-5-fluoro-3-nitropyridine
CID 10773626
3-(6-chloro-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine
CID 169473911
S-[4-(6-chloro-5-nitro-3-pyridinyl)-3,4-dihydroxybutyl] ethanethioate
CID 171876253
2-chloro-5-(1-methoxyethenyl)-3-nitropyridine;ethane
CID 144796230
2-chloro-5-(fluoromethyl)-3-nitropyridine
CID 174286829
5-bromo-2-chloro-3-nitropyridine;1-[(5-bromo-3-nitro-2-pyridinyl)amino]propan-2-ol
CID 162205567
(1R)-N-methyl-1-[4-nitro-3-(trifluoromethyl)phenyl]ethanamine
CID 165351611
2-chloro-3,5-dinitropyridine;N'-(3,5-dinitro-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;N,N',N'-trimethylethane-1,2-diamine
CID 159484828
5-chloro-N-(3,3-dimethylbutan-2-yl)-3-nitropyridin-2-amine
CID 113269101

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-chloro-5-nitro-3-pyridinyl)-N-methylethanamine?
The IUPAC name of (1R)-1-(6-chloro-5-nitro-3-pyridinyl)-N-methylethanamine (CID 130699268) is (1R)-1-(6-chloro-5-nitro-3-pyridinyl)-N-methylethanamine.
What is the SMILES notation for (1R)-1-(6-chloro-5-nitro-3-pyridinyl)-N-methylethanamine?
The canonical SMILES for (1R)-1-(6-chloro-5-nitro-3-pyridinyl)-N-methylethanamine is CN[C@H](C)c1cnc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of (1R)-1-(6-chloro-5-nitro-3-pyridinyl)-N-methylethanamine?
The InChIKey is POGVDZQNHXZMPW-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-5(10-2)6-3-7(12(13)14)8(9)11-4-6/h3-5,10H,1-2H3/t5-/m1/s1.
What are the key properties of (1R)-1-(6-chloro-5-nitro-3-pyridinyl)-N-methylethanamine?
(1R)-1-(6-chloro-5-nitro-3-pyridinyl)-N-methylethanamine has a molecular weight of 215.64 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-chloro-5-nitro-3-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 130699268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).