5-chloro-3-nitro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridin-2-amine

C13H14ClN3O2 — CID 103821473

IUPAC5-chloro-3-nitro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)cnc1NC1C2C3CCC(C3)C12
InChIInChI=1S/C13H14ClN3O2/c14-8-4-9(17(18)19)13(15-5-8)16-12-10-6-1-2-7(3-6)11(10)12/h4-7,10-12H,1-3H2,(H,15,16)
InChIKeyRUVJXXBSGUWRNA-UHFFFAOYSA-N
MW279.73 g/mol
LogP3.10
Rot. Bonds3

About 5-chloro-3-nitro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridin-2-amine

5-chloro-3-nitro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridin-2-amine (PubChem CID 103821473) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-3-nitro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-nitro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridin-2-amine
PubChem CID103821473
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name5-chloro-3-nitro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)cnc1NC1C2C3CCC(C3)C12
InChIInChI=1S/C13H14ClN3O2/c14-8-4-9(17(18)19)13(15-5-8)16-12-10-6-1-2-7(3-6)11(10)12/h4-7,10-12H,1-3H2,(H,15,16)
InChIKeyRUVJXXBSGUWRNA-UHFFFAOYSA-N
XLogP3.10
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 53.10
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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Related Compounds

[4-[(5-chloro-3-nitro-2-pyridinyl)amino]cyclohexyl]carbamic acid
CID 170347516
5-chloro-3-nitro-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyridin-2-amine
CID 99815855
5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide
CID 133365583
2-N-(5-chloro-3-nitro-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine
CID 115308283
5-chloro-3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 71008237
N'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
CID 115301549
2-[[3-[(5-chloro-3-nitro-2-pyridinyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122061305
N-cyclopropyl-5-methyl-3-nitropyridin-2-amine
CID 46738807
5-chloro-N-(3,3-dimethylbutan-2-yl)-3-nitropyridin-2-amine
CID 113269101
N-cycloheptyl-3,5-dinitropyridin-2-amine
CID 71836620
N-(2-cyclopropyloxolan-3-yl)-5-methyl-3-nitropyridin-2-amine
CID 103863939
5-bromo-N-cycloheptyl-3-nitropyridin-2-amine
CID 61227669

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-nitro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-nitro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridin-2-amine (CID 103821473) is 5-chloro-3-nitro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-nitro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-nitro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridin-2-amine is O=[N+]([O-])c1cc(Cl)cnc1NC1C2C3CCC(C3)C12.
What is the InChIKey of 5-chloro-3-nitro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridin-2-amine?
The InChIKey is RUVJXXBSGUWRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c14-8-4-9(17(18)19)13(15-5-8)16-12-10-6-1-2-7(3-6)11(10)12/h4-7,10-12H,1-3H2,(H,15,16).
What are the key properties of 5-chloro-3-nitro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridin-2-amine?
5-chloro-3-nitro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridin-2-amine has a molecular weight of 279.73 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-nitro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridin-2-amine is sourced from PubChem (CID 103821473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).