N-[3-fluoro-2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]acetamide

C13H10FN3O3S — CID 101460758

IUPACN-[3-fluoro-2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(F)c1Sc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C13H10FN3O3S/c1-8(18)16-10-5-2-4-9(14)12(10)21-13-11(17(19)20)6-3-7-15-13/h2-7H,1H3,(H,16,18)
InChIKeyAXKCHYDLQQVUGW-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.24
Rot. Bonds4

About N-[3-fluoro-2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]acetamide

N-[3-fluoro-2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]acetamide (PubChem CID 101460758) has the molecular formula C13H10FN3O3S and a molecular weight of 307.31 g/mol. Its IUPAC name is N-[3-fluoro-2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]acetamide
PubChem CID101460758
Molecular FormulaC13H10FN3O3S
Molecular Weight307.31 g/mol
Exact Mass307.04
IUPAC NameN-[3-fluoro-2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(F)c1Sc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C13H10FN3O3S/c1-8(18)16-10-5-2-4-9(14)12(10)21-13-11(17(19)20)6-3-7-15-13/h2-7H,1H3,(H,16,18)
InChIKeyAXKCHYDLQQVUGW-UHFFFAOYSA-N
XLogP3.24
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-bromo-3-nitrophenyl)acetamide
CID 68518148
2-[(3-bromo-2-pyridinyl)sulfanyl]-3-nitrobenzoic acid
CID 115932602
2-(3-chloro-4-fluorophenyl)sulfanyl-3-nitropyridine
CID 9337532
2-methylsulfanyl-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 17399569
3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine
CID 18670954
2-[(3-chloro-2-pyridinyl)sulfanyl]-3-nitrobenzoic acid
CID 115932605
2-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitropyridine
CID 15141760
2-(4-methoxyphenyl)sulfanyl-3-nitropyridine
CID 10563412
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 9394683
N,N-diethyl-3-[(3-nitro-2-pyridinyl)sulfanyl]aniline
CID 131710724
dimethyl 2-[(3-nitro-2-pyridinyl)sulfanylmethylidene]propanedioate
CID 13236985
2-(3-chloro-2-methylpropyl)sulfanyl-3-nitropyridine
CID 66103569

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]acetamide?
The IUPAC name of N-[3-fluoro-2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]acetamide (CID 101460758) is N-[3-fluoro-2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[3-fluoro-2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]acetamide?
The canonical SMILES for N-[3-fluoro-2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]acetamide is CC(=O)Nc1cccc(F)c1Sc1ncccc1[N+](=O)[O-].
What is the InChIKey of N-[3-fluoro-2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]acetamide?
The InChIKey is AXKCHYDLQQVUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3S/c1-8(18)16-10-5-2-4-9(14)12(10)21-13-11(17(19)20)6-3-7-15-13/h2-7H,1H3,(H,16,18).
What are the key properties of N-[3-fluoro-2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]acetamide?
N-[3-fluoro-2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]acetamide has a molecular weight of 307.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]acetamide is sourced from PubChem (CID 101460758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).