2-chloro-5-nitropyridine;6-chloropyridin-3-amine

C10H8Cl2N4O2 — CID 87669080

IUPAC2-chloro-5-nitropyridine;6-chloropyridin-3-amine
SMILESNc1ccc(Cl)nc1.O=[N+]([O-])c1ccc(Cl)nc1
InChIInChI=1S/C5H3ClN2O2.C5H5ClN2/c6-5-2-1-4(3-7-5)8(9)10;6-5-2-1-4(7)3-8-5/h1-3H;1-3H,7H2
InChIKeyXQGPOQWXGQKIMT-UHFFFAOYSA-N
MW287.11 g/mol
LogP2.96
Rot. Bonds1

About 2-chloro-5-nitropyridine;6-chloropyridin-3-amine

2-chloro-5-nitropyridine;6-chloropyridin-3-amine (PubChem CID 87669080) has the molecular formula C10H8Cl2N4O2 and a molecular weight of 287.11 g/mol. Its IUPAC name is 2-chloro-5-nitropyridine;6-chloropyridin-3-amine.

Molecular Properties

Compound Name2-chloro-5-nitropyridine;6-chloropyridin-3-amine
PubChem CID87669080
Molecular FormulaC10H8Cl2N4O2
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name2-chloro-5-nitropyridine;6-chloropyridin-3-amine
SMILESNc1ccc(Cl)nc1.O=[N+]([O-])c1ccc(Cl)nc1
InChIInChI=1S/C5H3ClN2O2.C5H5ClN2/c6-5-2-1-4(3-7-5)8(9)10;6-5-2-1-4(7)3-8-5/h1-3H;1-3H,7H2
InChIKeyXQGPOQWXGQKIMT-UHFFFAOYSA-N
XLogP2.96
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2-chloro-5-nitropyridine;nitrous acid
CID 118129772
2-chloro-5-nitropyrimidine;2-chloropyrimidin-5-amine
CID 158095022
1-(5-amino-2-pyridinyl)piperidin-4-ol;2-chloro-5-nitropyridine;methane;1-(5-nitro-2-pyridinyl)piperidin-4-ol;piperidin-4-ol
CID 159457958
methane;5-nitropyridin-2-amine
CID 174857781
2-benzylsulfanyl-5-nitropyridine;6-benzylsulfanylpyridin-3-amine
CID 167555287
6-(2-chloro-4-nitrophenoxy)pyridin-3-amine
CID 114049044
N-(5-amino-2-pyridinyl)-2,2-dimethylpropanamide;2,2-dimethyl-N-(5-nitro-2-pyridinyl)propanamide
CID 157357531
tert-butyl N-[[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]methyl]carbamate;2-chloro-5-nitropyridine
CID 160904201
methanamine;4-nitroaniline
CID 22708932
sodium;hydride;4-nitroaniline
CID 174897540
molecular nitrogen;4-nitroaniline;hydrochloride
CID 175091269
2-chloro-5-[3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]pyridine
CID 15238984

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitropyridine;6-chloropyridin-3-amine?
The IUPAC name of 2-chloro-5-nitropyridine;6-chloropyridin-3-amine (CID 87669080) is 2-chloro-5-nitropyridine;6-chloropyridin-3-amine.
What is the SMILES notation for 2-chloro-5-nitropyridine;6-chloropyridin-3-amine?
The canonical SMILES for 2-chloro-5-nitropyridine;6-chloropyridin-3-amine is Nc1ccc(Cl)nc1.O=[N+]([O-])c1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-nitropyridine;6-chloropyridin-3-amine?
The InChIKey is XQGPOQWXGQKIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN2O2.C5H5ClN2/c6-5-2-1-4(3-7-5)8(9)10;6-5-2-1-4(7)3-8-5/h1-3H;1-3H,7H2.
What are the key properties of 2-chloro-5-nitropyridine;6-chloropyridin-3-amine?
2-chloro-5-nitropyridine;6-chloropyridin-3-amine has a molecular weight of 287.11 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitropyridine;6-chloropyridin-3-amine is sourced from PubChem (CID 87669080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).