2-chloro-5-nitro-1H-pyridine-4-thione

C5H3ClN2O2S — CID 150605541

IUPAC2-chloro-5-nitro-1H-pyridine-4-thione
SMILESO=[N+]([O-])c1c[nH]c(Cl)cc1=S
InChIInChI=1S/C5H3ClN2O2S/c6-5-1-4(11)3(2-7-5)8(9)10/h1-2H,(H,7,11)
InChIKeyISUGFKHDPYXVAV-UHFFFAOYSA-N
MW190.61 g/mol
LogP2.31
Rot. Bonds1

About 2-chloro-5-nitro-1H-pyridine-4-thione

2-chloro-5-nitro-1H-pyridine-4-thione (PubChem CID 150605541) has the molecular formula C5H3ClN2O2S and a molecular weight of 190.61 g/mol. Its IUPAC name is 2-chloro-5-nitro-1H-pyridine-4-thione.

Molecular Properties

Compound Name2-chloro-5-nitro-1H-pyridine-4-thione
PubChem CID150605541
Molecular FormulaC5H3ClN2O2S
Molecular Weight190.61 g/mol
Exact Mass189.96
IUPAC Name2-chloro-5-nitro-1H-pyridine-4-thione
SMILESO=[N+]([O-])c1c[nH]c(Cl)cc1=S
InChIInChI=1S/C5H3ClN2O2S/c6-5-1-4(11)3(2-7-5)8(9)10/h1-2H,(H,7,11)
InChIKeyISUGFKHDPYXVAV-UHFFFAOYSA-N
XLogP2.31
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.61
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-nitro-1H-pyrrole
CID 21459528
2-chloro-4-(4-nitrophenyl)-1H-pyrrole
CID 143271381
4-fluoro-5-nitro-1H-pyridin-2-one
CID 118833070
2,3,4-trichloro-1,5-dinitrobenzene
CID 22875
2-chloro-5-methylsulfanyl-1,3-dinitrobenzene
CID 21442507
2,4-dichloro-3-fluoro-1,5-dinitrobenzene
CID 86775443
5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine
CID 131031894
3-nitro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-2-one
CID 133092130
5-chloro-4-nitro-1H-pyrazole
CID 18769507
6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one
CID 175866851
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
4-chloro-2,6-dinitrophenolate
CID 36690453

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-1H-pyridine-4-thione?
The IUPAC name of 2-chloro-5-nitro-1H-pyridine-4-thione (CID 150605541) is 2-chloro-5-nitro-1H-pyridine-4-thione.
What is the SMILES notation for 2-chloro-5-nitro-1H-pyridine-4-thione?
The canonical SMILES for 2-chloro-5-nitro-1H-pyridine-4-thione is O=[N+]([O-])c1c[nH]c(Cl)cc1=S.
What is the InChIKey of 2-chloro-5-nitro-1H-pyridine-4-thione?
The InChIKey is ISUGFKHDPYXVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN2O2S/c6-5-1-4(11)3(2-7-5)8(9)10/h1-2H,(H,7,11).
What are the key properties of 2-chloro-5-nitro-1H-pyridine-4-thione?
2-chloro-5-nitro-1H-pyridine-4-thione has a molecular weight of 190.61 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-1H-pyridine-4-thione is sourced from PubChem (CID 150605541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).