N-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine

C12H10ClN3O2 — CID 3146292

IUPACN-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine
SMILESCc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1Cl
InChIInChI=1S/C12H10ClN3O2/c1-8-2-3-9(6-11(8)13)15-12-5-4-10(7-14-12)16(17)18/h2-7H,1H3,(H,14,15)
InChIKeyBWLWFTYUJPBAPC-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.70
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine

N-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine (PubChem CID 3146292) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine
PubChem CID3146292
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC NameN-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine
SMILESCc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1Cl
InChIInChI=1S/C12H10ClN3O2/c1-8-2-3-9(6-11(8)13)15-12-5-4-10(7-14-12)16(17)18/h2-7H,1H3,(H,14,15)
InChIKeyBWLWFTYUJPBAPC-UHFFFAOYSA-N
XLogP3.70
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine (CID 3146292) is N-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine is Cc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine?
The InChIKey is BWLWFTYUJPBAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-8-2-3-9(6-11(8)13)15-12-5-4-10(7-14-12)16(17)18/h2-7H,1H3,(H,14,15).
What are the key properties of N-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine?
N-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine has a molecular weight of 263.68 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 3146292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).