N-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide

C12H6ClF2N3O3 — CID 103943536

IUPACN-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide
SMILESO=C(Nc1ncccc1Cl)c1cc(F)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H6ClF2N3O3/c13-7-2-1-3-16-11(7)17-12(19)6-4-8(14)9(15)5-10(6)18(20)21/h1-5H,(H,16,17,19)
InChIKeyUGJUOJRBPXJZGK-UHFFFAOYSA-N
MW313.65 g/mol
LogP3.17
Rot. Bonds3

About N-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide

N-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide (PubChem CID 103943536) has the molecular formula C12H6ClF2N3O3 and a molecular weight of 313.65 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide
PubChem CID103943536
Molecular FormulaC12H6ClF2N3O3
Molecular Weight313.65 g/mol
Exact Mass313.01
IUPAC NameN-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide
SMILESO=C(Nc1ncccc1Cl)c1cc(F)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H6ClF2N3O3/c13-7-2-1-3-16-11(7)17-12(19)6-4-8(14)9(15)5-10(6)18(20)21/h1-5H,(H,16,17,19)
InChIKeyUGJUOJRBPXJZGK-UHFFFAOYSA-N
XLogP3.17
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.65
LogP ≤ 53.17
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

N-(3-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzamide
CID 103943386
N-(3-chloro-2-pyridinyl)-2-nitrobenzamide
CID 113347276
N-(3-chloro-2-pyridinyl)-5-methyl-2-nitrobenzamide
CID 103943486
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297649
4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide
CID 103094802
4,5-difluoro-N-(5-fluoro-2-pyridinyl)-2-nitrobenzamide
CID 63235900
N-(3-chloro-2-pyridinyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 103943594
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
2-bromo-N-(3-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103893012
5-amino-2-bromo-N-(3-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103093873
2,4-dichloro-5-fluoro-N-(3-hydroxy-2-pyridinyl)benzamide
CID 17394617
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103943460

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide (CID 103943536) is N-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide is O=C(Nc1ncccc1Cl)c1cc(F)c(F)cc1[N+](=O)[O-].
What is the InChIKey of N-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide?
The InChIKey is UGJUOJRBPXJZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2N3O3/c13-7-2-1-3-16-11(7)17-12(19)6-4-8(14)9(15)5-10(6)18(20)21/h1-5H,(H,16,17,19).
What are the key properties of N-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide?
N-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide has a molecular weight of 313.65 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide is sourced from PubChem (CID 103943536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).