6-chloro-N-(3-fluoro-4-piperidin-1-ylphenyl)-3-nitropyridin-2-amine

C16H16ClFN4O2 — CID 88545924

IUPAC6-chloro-N-(3-fluoro-4-piperidin-1-ylphenyl)-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C16H16ClFN4O2/c17-15-7-6-14(22(23)24)16(20-15)19-11-4-5-13(12(18)10-11)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H,19,20)
InChIKeyCSZGFWFTBHMLEH-UHFFFAOYSA-N
MW350.78 g/mol
LogP4.52
Rot. Bonds4

About 6-chloro-N-(3-fluoro-4-piperidin-1-ylphenyl)-3-nitropyridin-2-amine

6-chloro-N-(3-fluoro-4-piperidin-1-ylphenyl)-3-nitropyridin-2-amine (PubChem CID 88545924) has the molecular formula C16H16ClFN4O2 and a molecular weight of 350.78 g/mol. Its IUPAC name is 6-chloro-N-(3-fluoro-4-piperidin-1-ylphenyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(3-fluoro-4-piperidin-1-ylphenyl)-3-nitropyridin-2-amine
PubChem CID88545924
Molecular FormulaC16H16ClFN4O2
Molecular Weight350.78 g/mol
Exact Mass350.09
IUPAC Name6-chloro-N-(3-fluoro-4-piperidin-1-ylphenyl)-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C16H16ClFN4O2/c17-15-7-6-14(22(23)24)16(20-15)19-11-4-5-13(12(18)10-11)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H,19,20)
InChIKeyCSZGFWFTBHMLEH-UHFFFAOYSA-N
XLogP4.52
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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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Related Compounds

6-bromo-N-(3-fluoro-4-piperazin-1-ylphenyl)-3-nitropyridin-2-amine
CID 89494293
N-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine
CID 113452360
6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine
CID 43330290
2-N-[4-(4-aminopiperidin-1-yl)-3-fluorophenyl]-6-N-methyl-3-nitropyridine-2,6-diamine
CID 67995077
1-[4-[[6-(tert-butylamino)-3-nitro-2-pyridinyl]amino]-2-fluorophenyl]piperidin-4-ol
CID 67995001
N-[4-(4-aminopiperidin-1-yl)-3-fluorophenyl]-3-nitro-6-piperazin-1-ylpyridin-2-amine
CID 67995714
N-(1,3-benzodioxol-5-yl)-6-chloro-3-nitropyridin-2-amine
CID 21329321
1-[2-fluoro-4-[[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]amino]phenyl]piperidin-4-ol
CID 67994687
4-[(6-chloro-3-nitro-2-pyridinyl)amino]benzoic acid
CID 70689067
6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 43330264
6-(4-chloro-3-fluoroanilino)-5-nitropyridine-2-carboxylic acid
CID 114403831
6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine
CID 43330260

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-fluoro-4-piperidin-1-ylphenyl)-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-(3-fluoro-4-piperidin-1-ylphenyl)-3-nitropyridin-2-amine (CID 88545924) is 6-chloro-N-(3-fluoro-4-piperidin-1-ylphenyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(3-fluoro-4-piperidin-1-ylphenyl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-(3-fluoro-4-piperidin-1-ylphenyl)-3-nitropyridin-2-amine is O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(N2CCCCC2)c(F)c1.
What is the InChIKey of 6-chloro-N-(3-fluoro-4-piperidin-1-ylphenyl)-3-nitropyridin-2-amine?
The InChIKey is CSZGFWFTBHMLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O2/c17-15-7-6-14(22(23)24)16(20-15)19-11-4-5-13(12(18)10-11)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H,19,20).
What are the key properties of 6-chloro-N-(3-fluoro-4-piperidin-1-ylphenyl)-3-nitropyridin-2-amine?
6-chloro-N-(3-fluoro-4-piperidin-1-ylphenyl)-3-nitropyridin-2-amine has a molecular weight of 350.78 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-fluoro-4-piperidin-1-ylphenyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 88545924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).