2-chloro-4-nitroaniline;naphthalen-2-ol

C16H13ClN2O3 — CID 70601980

IUPAC2-chloro-4-nitroaniline;naphthalen-2-ol
SMILESNc1ccc([N+](=O)[O-])cc1Cl.Oc1ccc2ccccc2c1
InChIInChI=1S/C10H8O.C6H5ClN2O2/c11-10-6-5-8-3-1-2-4-9(8)7-10;7-5-3-4(9(10)11)1-2-6(5)8/h1-7,11H;1-3H,8H2
InChIKeyCSZQAQHQPHDECO-UHFFFAOYSA-N
MW316.74 g/mol
LogP4.38
Rot. Bonds1

About 2-chloro-4-nitroaniline;naphthalen-2-ol

2-chloro-4-nitroaniline;naphthalen-2-ol (PubChem CID 70601980) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 2-chloro-4-nitroaniline;naphthalen-2-ol.

Molecular Properties

Compound Name2-chloro-4-nitroaniline;naphthalen-2-ol
PubChem CID70601980
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name2-chloro-4-nitroaniline;naphthalen-2-ol
SMILESNc1ccc([N+](=O)[O-])cc1Cl.Oc1ccc2ccccc2c1
InChIInChI=1S/C10H8O.C6H5ClN2O2/c11-10-6-5-8-3-1-2-4-9(8)7-10;7-5-3-4(9(10)11)1-2-6(5)8/h1-7,11H;1-3H,8H2
InChIKeyCSZQAQHQPHDECO-UHFFFAOYSA-N
XLogP4.38
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-amino-5-nitrophenol;naphthalen-2-ol
CID 23314581
naphthalen-2-ol;4-nitroaniline
CID 160761253
naphthalen-2-ol;nitrobenzene
CID 163774452
3-chloroaniline;2-chloro-4-nitroaniline
CID 159343483
naphthalen-2-ol
CID 71750931
N-(2-chloro-4-nitrophenyl)naphthalene-2-carboxamide
CID 21212432
aniline;1,2-dichloro-4-nitrobenzene
CID 86084076
bis(1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene);2-nitronaphthalene
CID 57354038
CID 69280188
CID 69280188
potassium 2-chloro-4-nitrophenol
CID 71150199
ethane;naphthalen-2-ol
CID 91107047
3-nitroacridin-9-amine
CID 26592

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-nitroaniline;naphthalen-2-ol?
The IUPAC name of 2-chloro-4-nitroaniline;naphthalen-2-ol (CID 70601980) is 2-chloro-4-nitroaniline;naphthalen-2-ol.
What is the SMILES notation for 2-chloro-4-nitroaniline;naphthalen-2-ol?
The canonical SMILES for 2-chloro-4-nitroaniline;naphthalen-2-ol is Nc1ccc([N+](=O)[O-])cc1Cl.Oc1ccc2ccccc2c1.
What is the InChIKey of 2-chloro-4-nitroaniline;naphthalen-2-ol?
The InChIKey is CSZQAQHQPHDECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O.C6H5ClN2O2/c11-10-6-5-8-3-1-2-4-9(8)7-10;7-5-3-4(9(10)11)1-2-6(5)8/h1-7,11H;1-3H,8H2.
What are the key properties of 2-chloro-4-nitroaniline;naphthalen-2-ol?
2-chloro-4-nitroaniline;naphthalen-2-ol has a molecular weight of 316.74 g/mol, XLogP of 4.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-nitroaniline;naphthalen-2-ol is sourced from PubChem (CID 70601980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).