2-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide

C9H6ClF4N3O3 — CID 103528773

IUPAC2-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
SMILESO=C(NCC(F)(F)C(F)F)c1ccnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C9H6ClF4N3O3/c10-6-5(17(19)20)4(1-2-15-6)7(18)16-3-9(13,14)8(11)12/h1-2,8H,3H2,(H,16,18)
InChIKeyODHLHEZNOJMOKB-UHFFFAOYSA-N
MW315.61 g/mol
LogP2.27
Rot. Bonds5

About 2-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide

2-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide (PubChem CID 103528773) has the molecular formula C9H6ClF4N3O3 and a molecular weight of 315.61 g/mol. Its IUPAC name is 2-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
PubChem CID103528773
Molecular FormulaC9H6ClF4N3O3
Molecular Weight315.61 g/mol
Exact Mass315.00
IUPAC Name2-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
SMILESO=C(NCC(F)(F)C(F)F)c1ccnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C9H6ClF4N3O3/c10-6-5(17(19)20)4(1-2-15-6)7(18)16-3-9(13,14)8(11)12/h1-2,8H,3H2,(H,16,18)
InChIKeyODHLHEZNOJMOKB-UHFFFAOYSA-N
XLogP2.27
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.61
LogP ≤ 52.27
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-carboxamide
CID 106291227
2-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 113429004
2-chloro-N-[(4-hydroxyphenyl)methyl]-3-nitropyridine-4-carboxamide
CID 115735377
2-chloro-N-(5-methylhexyl)-3-nitropyridine-4-carboxamide
CID 79209646
2-chloro-N-(2-methylsulfinylpropyl)-3-nitropyridine-4-carboxamide
CID 113336666
2-chloro-N-[(1-methylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide
CID 113248375
2-chloro-N-(3,3-dimethylbutan-2-yl)-3-nitropyridine-4-carboxamide
CID 113242404
2-chloro-N-[(1-hydroxycyclobutyl)methyl]-3-nitropyridine-4-carboxamide
CID 113247244
(2S)-2-[(2-chloro-3-nitropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 114036572
2-chloro-3-nitro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 64868063
2-chloro-N-(4-methylsulfanylbutyl)-3-nitropyridine-4-carboxamide
CID 113247231
2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide
CID 83014753

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide (CID 103528773) is 2-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide is O=C(NCC(F)(F)C(F)F)c1ccnc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide?
The InChIKey is ODHLHEZNOJMOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF4N3O3/c10-6-5(17(19)20)4(1-2-15-6)7(18)16-3-9(13,14)8(11)12/h1-2,8H,3H2,(H,16,18).
What are the key properties of 2-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide?
2-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide has a molecular weight of 315.61 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide is sourced from PubChem (CID 103528773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).