6-amino-2-chloro-3-nitrophenol

C6H5ClN2O3 — CID 101332030

IUPAC6-amino-2-chloro-3-nitrophenol
SMILESNc1ccc([N+](=O)[O-])c(Cl)c1O
InChIInChI=1S/C6H5ClN2O3/c7-5-4(9(11)12)2-1-3(8)6(5)10/h1-2,10H,8H2
InChIKeyJJVARUSSAJYUTC-UHFFFAOYSA-N
MW188.57 g/mol
LogP1.54
Rot. Bonds1

About 6-amino-2-chloro-3-nitrophenol

6-amino-2-chloro-3-nitrophenol (PubChem CID 101332030) has the molecular formula C6H5ClN2O3 and a molecular weight of 188.57 g/mol. Its IUPAC name is 6-amino-2-chloro-3-nitrophenol.

Molecular Properties

Compound Name6-amino-2-chloro-3-nitrophenol
PubChem CID101332030
Molecular FormulaC6H5ClN2O3
Molecular Weight188.57 g/mol
Exact Mass188.00
IUPAC Name6-amino-2-chloro-3-nitrophenol
SMILESNc1ccc([N+](=O)[O-])c(Cl)c1O
InChIInChI=1S/C6H5ClN2O3/c7-5-4(9(11)12)2-1-3(8)6(5)10/h1-2,10H,8H2
InChIKeyJJVARUSSAJYUTC-UHFFFAOYSA-N
XLogP1.54
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.57
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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

3-chloro-4-nitrobenzene-1,2-diol
CID 68960315
2,6-diaminophenol;2,6-dinitrophenol
CID 161330338
4-chloro-2-nitroaniline
CID 6979
2-chloro-3-nitro-6-sulfanylbenzoic acid
CID 142192680
4-amino-3-nitrophenol;3,4-dihydroxycyclobut-3-ene-1,2-dione
CID 154809804
3-amino-2-chloro-4-nitrobenzoic acid
CID 10488942
CID 45157719
CID 45157719
3-amino-4-nitrophenol;ethane
CID 142035460
(2,3-dichloro-4-nitrophenyl)methanamine
CID 119010941
3-chloro-2-(chloromethyl)-6-nitrophenol
CID 154191043
2-chloro-6-cyano-3-nitrobenzoic acid
CID 131489315
2,5-diamino-3-chloro-8-nitronaphthalene-1,4-dione
CID 12678262

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-chloro-3-nitrophenol?
The IUPAC name of 6-amino-2-chloro-3-nitrophenol (CID 101332030) is 6-amino-2-chloro-3-nitrophenol.
What is the SMILES notation for 6-amino-2-chloro-3-nitrophenol?
The canonical SMILES for 6-amino-2-chloro-3-nitrophenol is Nc1ccc([N+](=O)[O-])c(Cl)c1O.
What is the InChIKey of 6-amino-2-chloro-3-nitrophenol?
The InChIKey is JJVARUSSAJYUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O3/c7-5-4(9(11)12)2-1-3(8)6(5)10/h1-2,10H,8H2.
What are the key properties of 6-amino-2-chloro-3-nitrophenol?
6-amino-2-chloro-3-nitrophenol has a molecular weight of 188.57 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-chloro-3-nitrophenol is sourced from PubChem (CID 101332030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).