2-azido-4-chloro-5-nitrophenol

C6H3ClN4O3 — CID 151690041

IUPAC2-azido-4-chloro-5-nitrophenol
SMILES[N-]=[N+]=Nc1cc(Cl)c([N+](=O)[O-])cc1O
InChIInChI=1S/C6H3ClN4O3/c7-3-1-4(9-10-8)6(12)2-5(3)11(13)14/h1-2,12H
InChIKeyRCJBHOLLNBLPDR-UHFFFAOYSA-N
MW214.57 g/mol
LogP2.90
Rot. Bonds2

About 2-azido-4-chloro-5-nitrophenol

2-azido-4-chloro-5-nitrophenol (PubChem CID 151690041) has the molecular formula C6H3ClN4O3 and a molecular weight of 214.57 g/mol. Its IUPAC name is 2-azido-4-chloro-5-nitrophenol.

Molecular Properties

Compound Name2-azido-4-chloro-5-nitrophenol
PubChem CID151690041
Molecular FormulaC6H3ClN4O3
Molecular Weight214.57 g/mol
Exact Mass213.99
IUPAC Name2-azido-4-chloro-5-nitrophenol
SMILES[N-]=[N+]=Nc1cc(Cl)c([N+](=O)[O-])cc1O
InChIInChI=1S/C6H3ClN4O3/c7-3-1-4(9-10-8)6(12)2-5(3)11(13)14/h1-2,12H
InChIKeyRCJBHOLLNBLPDR-UHFFFAOYSA-N
XLogP2.90
TPSA112.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.57
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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

1-azido-2-chloro-5-fluoro-4-nitrobenzene
CID 151628176
2-azido-4-chloro-5-fluorophenol
CID 151595284
(E)-3-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 177489426
2-azido-1,3-dichloro-4-nitrobenzene
CID 151668211
2-azido-1-chloro-3-nitro-5-(trifluoromethyl)benzene
CID 152639889
methyl N'-(5-chloro-2-hydroxy-4-nitrophenyl)-N-cyanocarbamimidothioate
CID 169364576
1-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
CID 135571121
4-azido-5-nitrobenzene-1,2-dicarbonitrile
CID 152630324
4-chloro-2-[(4-morpholin-4-ylphenyl)methylideneamino]-5-nitrophenol
CID 3380951
ethyl (Z)-2-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]-3-hydroxybut-2-enoate
CID 135528660
4-chloro-3-nitrobenzoyl azide
CID 133188482
3-azido-4-methyl-5-nitrobenzoic acid
CID 169326362

Frequently Asked Questions

What is the IUPAC name of 2-azido-4-chloro-5-nitrophenol?
The IUPAC name of 2-azido-4-chloro-5-nitrophenol (CID 151690041) is 2-azido-4-chloro-5-nitrophenol.
What is the SMILES notation for 2-azido-4-chloro-5-nitrophenol?
The canonical SMILES for 2-azido-4-chloro-5-nitrophenol is [N-]=[N+]=Nc1cc(Cl)c([N+](=O)[O-])cc1O.
What is the InChIKey of 2-azido-4-chloro-5-nitrophenol?
The InChIKey is RCJBHOLLNBLPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN4O3/c7-3-1-4(9-10-8)6(12)2-5(3)11(13)14/h1-2,12H.
What are the key properties of 2-azido-4-chloro-5-nitrophenol?
2-azido-4-chloro-5-nitrophenol has a molecular weight of 214.57 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4-chloro-5-nitrophenol is sourced from PubChem (CID 151690041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).