6-chloro-3-nitro-N-(4-propan-2-ylphenyl)pyridin-2-amine

C14H14ClN3O2 — CID 43330272

IUPAC6-chloro-3-nitro-N-(4-propan-2-ylphenyl)pyridin-2-amine
SMILESCC(C)c1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H14ClN3O2/c1-9(2)10-3-5-11(6-4-10)16-14-12(18(19)20)7-8-13(15)17-14/h3-9H,1-2H3,(H,16,17)
InChIKeyUPRXSMBGLKOMFV-UHFFFAOYSA-N
MW291.74 g/mol
LogP4.51
Rot. Bonds4

About 6-chloro-3-nitro-N-(4-propan-2-ylphenyl)pyridin-2-amine

6-chloro-3-nitro-N-(4-propan-2-ylphenyl)pyridin-2-amine (PubChem CID 43330272) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 6-chloro-3-nitro-N-(4-propan-2-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-nitro-N-(4-propan-2-ylphenyl)pyridin-2-amine
PubChem CID43330272
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name6-chloro-3-nitro-N-(4-propan-2-ylphenyl)pyridin-2-amine
SMILESCC(C)c1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H14ClN3O2/c1-9(2)10-3-5-11(6-4-10)16-14-12(18(19)20)7-8-13(15)17-14/h3-9H,1-2H3,(H,16,17)
InChIKeyUPRXSMBGLKOMFV-UHFFFAOYSA-N
XLogP4.51
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 54.51
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-nitro-N-(4-propan-2-ylphenyl)pyridin-2-amine?
The IUPAC name of 6-chloro-3-nitro-N-(4-propan-2-ylphenyl)pyridin-2-amine (CID 43330272) is 6-chloro-3-nitro-N-(4-propan-2-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-3-nitro-N-(4-propan-2-ylphenyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-3-nitro-N-(4-propan-2-ylphenyl)pyridin-2-amine is CC(C)c1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of 6-chloro-3-nitro-N-(4-propan-2-ylphenyl)pyridin-2-amine?
The InChIKey is UPRXSMBGLKOMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-9(2)10-3-5-11(6-4-10)16-14-12(18(19)20)7-8-13(15)17-14/h3-9H,1-2H3,(H,16,17).
What are the key properties of 6-chloro-3-nitro-N-(4-propan-2-ylphenyl)pyridin-2-amine?
6-chloro-3-nitro-N-(4-propan-2-ylphenyl)pyridin-2-amine has a molecular weight of 291.74 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitro-N-(4-propan-2-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 43330272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).