5-chloro-4-fluoro-3-nitropyridin-2-amine

C5H3ClFN3O2 — CID 135394983

IUPAC5-chloro-4-fluoro-3-nitropyridin-2-amine
SMILESNc1ncc(Cl)c(F)c1[N+](=O)[O-]
InChIInChI=1S/C5H3ClFN3O2/c6-2-1-9-5(8)4(3(2)7)10(11)12/h1H,(H2,8,9)
InChIKeyBCWZOQFINNCWBK-UHFFFAOYSA-N
MW191.55 g/mol
LogP1.36
Rot. Bonds1

About 5-chloro-4-fluoro-3-nitropyridin-2-amine

5-chloro-4-fluoro-3-nitropyridin-2-amine (PubChem CID 135394983) has the molecular formula C5H3ClFN3O2 and a molecular weight of 191.55 g/mol. Its IUPAC name is 5-chloro-4-fluoro-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-fluoro-3-nitropyridin-2-amine
PubChem CID135394983
Molecular FormulaC5H3ClFN3O2
Molecular Weight191.55 g/mol
Exact Mass190.99
IUPAC Name5-chloro-4-fluoro-3-nitropyridin-2-amine
SMILESNc1ncc(Cl)c(F)c1[N+](=O)[O-]
InChIInChI=1S/C5H3ClFN3O2/c6-2-1-9-5(8)4(3(2)7)10(11)12/h1H,(H2,8,9)
InChIKeyBCWZOQFINNCWBK-UHFFFAOYSA-N
XLogP1.36
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.55
LogP ≤ 51.36
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'}

Analyze 5-chloro-4-fluoro-3-nitropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-3-nitropyridin-2-amine?
The IUPAC name of 5-chloro-4-fluoro-3-nitropyridin-2-amine (CID 135394983) is 5-chloro-4-fluoro-3-nitropyridin-2-amine.
What is the SMILES notation for 5-chloro-4-fluoro-3-nitropyridin-2-amine?
The canonical SMILES for 5-chloro-4-fluoro-3-nitropyridin-2-amine is Nc1ncc(Cl)c(F)c1[N+](=O)[O-].
What is the InChIKey of 5-chloro-4-fluoro-3-nitropyridin-2-amine?
The InChIKey is BCWZOQFINNCWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClFN3O2/c6-2-1-9-5(8)4(3(2)7)10(11)12/h1H,(H2,8,9).
What are the key properties of 5-chloro-4-fluoro-3-nitropyridin-2-amine?
5-chloro-4-fluoro-3-nitropyridin-2-amine has a molecular weight of 191.55 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-3-nitropyridin-2-amine is sourced from PubChem (CID 135394983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).