6-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-2-amine

C14H13ClFN3O2 — CID 174530743

IUPAC6-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-2-amine
SMILESCC(C)(Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1
InChIInChI=1S/C14H13ClFN3O2/c1-14(2,9-3-5-10(16)6-4-9)18-13-11(19(20)21)7-8-12(15)17-13/h3-8H,1-2H3,(H,17,18)
InChIKeyISGPVPOYELXAKU-UHFFFAOYSA-N
MW309.73 g/mol
LogP4.13
Rot. Bonds4

About 6-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-2-amine

6-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-2-amine (PubChem CID 174530743) has the molecular formula C14H13ClFN3O2 and a molecular weight of 309.73 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-2-amine
PubChem CID174530743
Molecular FormulaC14H13ClFN3O2
Molecular Weight309.73 g/mol
Exact Mass309.07
IUPAC Name6-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-2-amine
SMILESCC(C)(Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1
InChIInChI=1S/C14H13ClFN3O2/c1-14(2,9-3-5-10(16)6-4-9)18-13-11(19(20)21)7-8-12(15)17-13/h3-8H,1-2H3,(H,17,18)
InChIKeyISGPVPOYELXAKU-UHFFFAOYSA-N
XLogP4.13
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 54.13
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-N-[2-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-2-amine (CID 174530743) is 6-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-2-amine is CC(C)(Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1.
What is the InChIKey of 6-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-2-amine?
The InChIKey is ISGPVPOYELXAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O2/c1-14(2,9-3-5-10(16)6-4-9)18-13-11(19(20)21)7-8-12(15)17-13/h3-8H,1-2H3,(H,17,18).
What are the key properties of 6-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-2-amine?
6-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-2-amine has a molecular weight of 309.73 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-2-amine is sourced from PubChem (CID 174530743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).