(2,3-dichloro-4-nitrophenyl)methanamine

C7H6Cl2N2O2 — CID 119010941

IUPAC(2,3-dichloro-4-nitrophenyl)methanamine
SMILESNCc1ccc([N+](=O)[O-])c(Cl)c1Cl
InChIInChI=1S/C7H6Cl2N2O2/c8-6-4(3-10)1-2-5(7(6)9)11(12)13/h1-2H,3,10H2
InChIKeyCDFBEQMOURPDAN-UHFFFAOYSA-N
MW221.04 g/mol
LogP2.36
Rot. Bonds2

About (2,3-dichloro-4-nitrophenyl)methanamine

(2,3-dichloro-4-nitrophenyl)methanamine (PubChem CID 119010941) has the molecular formula C7H6Cl2N2O2 and a molecular weight of 221.04 g/mol. Its IUPAC name is (2,3-dichloro-4-nitrophenyl)methanamine.

Molecular Properties

Compound Name(2,3-dichloro-4-nitrophenyl)methanamine
PubChem CID119010941
Molecular FormulaC7H6Cl2N2O2
Molecular Weight221.04 g/mol
Exact Mass219.98
IUPAC Name(2,3-dichloro-4-nitrophenyl)methanamine
SMILESNCc1ccc([N+](=O)[O-])c(Cl)c1Cl
InChIInChI=1S/C7H6Cl2N2O2/c8-6-4(3-10)1-2-5(7(6)9)11(12)13/h1-2H,3,10H2
InChIKeyCDFBEQMOURPDAN-UHFFFAOYSA-N
XLogP2.36
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-chloro-2-methyl-4-nitrophenyl)methanamine
CID 130938681
(3-chloro-2-nitrophenyl)methanamine;hydrochloride
CID 155970925
2,3-dichloro-4-nitrobenzonitrile
CID 18980576
[2-bromo-4-nitro-3-(trifluoromethyl)phenyl]methanamine
CID 171011831
N-[[2-(aminomethyl)phenyl]methyl]-2-nitroaniline
CID 62950463
2-(2,6-dichloro-3-nitrophenyl)acetic acid
CID 54265437
(2-chloro-5-iodo-4-nitrophenyl)methanamine
CID 171020858
(2-chloro-4-iodo-5-nitrophenyl)methanamine
CID 171020643
6-amino-2-chloro-3-nitrophenol
CID 101332030
2-(3-chloro-2-cyano-4-nitrophenyl)acetic acid
CID 131611730
2,3,4-trichloro-1,5-dinitrobenzene
CID 22875
(4-methylsulfonyl-2-nitrophenyl)methanamine
CID 44518858

Frequently Asked Questions

What is the IUPAC name of (2,3-dichloro-4-nitrophenyl)methanamine?
The IUPAC name of (2,3-dichloro-4-nitrophenyl)methanamine (CID 119010941) is (2,3-dichloro-4-nitrophenyl)methanamine.
What is the SMILES notation for (2,3-dichloro-4-nitrophenyl)methanamine?
The canonical SMILES for (2,3-dichloro-4-nitrophenyl)methanamine is NCc1ccc([N+](=O)[O-])c(Cl)c1Cl.
What is the InChIKey of (2,3-dichloro-4-nitrophenyl)methanamine?
The InChIKey is CDFBEQMOURPDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2/c8-6-4(3-10)1-2-5(7(6)9)11(12)13/h1-2H,3,10H2.
What are the key properties of (2,3-dichloro-4-nitrophenyl)methanamine?
(2,3-dichloro-4-nitrophenyl)methanamine has a molecular weight of 221.04 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichloro-4-nitrophenyl)methanamine is sourced from PubChem (CID 119010941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).