(3-chloro-2-nitrophenyl)methanamine;hydrochloride

C7H8Cl2N2O2 — CID 155970925

IUPAC(3-chloro-2-nitrophenyl)methanamine;hydrochloride
SMILESCl.NCc1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C7H7ClN2O2.ClH/c8-6-3-1-2-5(4-9)7(6)10(11)12;/h1-3H,4,9H2;1H
InChIKeyUCIRHIJEQLYTLD-UHFFFAOYSA-N
MW223.06 g/mol
LogP2.13
Rot. Bonds2

About (3-chloro-2-nitrophenyl)methanamine;hydrochloride

(3-chloro-2-nitrophenyl)methanamine;hydrochloride (PubChem CID 155970925) has the molecular formula C7H8Cl2N2O2 and a molecular weight of 223.06 g/mol. Its IUPAC name is (3-chloro-2-nitrophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-chloro-2-nitrophenyl)methanamine;hydrochloride
PubChem CID155970925
Molecular FormulaC7H8Cl2N2O2
Molecular Weight223.06 g/mol
Exact Mass222.00
IUPAC Name(3-chloro-2-nitrophenyl)methanamine;hydrochloride
SMILESCl.NCc1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C7H7ClN2O2.ClH/c8-6-3-1-2-5(4-9)7(6)10(11)12;/h1-3H,4,9H2;1H
InChIKeyUCIRHIJEQLYTLD-UHFFFAOYSA-N
XLogP2.13
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.06
LogP ≤ 52.13
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-fluoro-2-nitrophenyl)methanamine;hydrochloride
CID 131869126
1-(2-bromoethyl)-3-chloro-2-nitrobenzene
CID 151932665
1-chloro-3-(3-chloropropyl)-2-nitrobenzene
CID 118807922
1-chloro-3-(methylsulfonylmethyl)-2-nitrobenzene
CID 142190638
(3-chloro-2-nitrophenyl)methyl 2,2,3,3,3-pentafluoropropanoate
CID 91741061
1-(butan-2-yloxymethyl)-3-chloro-2-nitrobenzene
CID 91725539
N'-(3-chloro-2-nitrophenyl)-N'-methylpropane-1,3-diamine
CID 104839457
N'-(3-chloro-2-nitrophenyl)butane-1,4-diamine
CID 104835525
(2,3-dichloro-4-nitrophenyl)methanamine
CID 119010941
2-[(3-chloro-2-nitrophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 11380174
1-[(2-bromophenyl)methoxy]-3-chloro-2-nitrobenzene
CID 104835460
3-chloro-N-[(2-fluorophenyl)methyl]-2-nitroaniline
CID 104835684

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-nitrophenyl)methanamine;hydrochloride?
The IUPAC name of (3-chloro-2-nitrophenyl)methanamine;hydrochloride (CID 155970925) is (3-chloro-2-nitrophenyl)methanamine;hydrochloride.
What is the SMILES notation for (3-chloro-2-nitrophenyl)methanamine;hydrochloride?
The canonical SMILES for (3-chloro-2-nitrophenyl)methanamine;hydrochloride is Cl.NCc1cccc(Cl)c1[N+](=O)[O-].
What is the InChIKey of (3-chloro-2-nitrophenyl)methanamine;hydrochloride?
The InChIKey is UCIRHIJEQLYTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2.ClH/c8-6-3-1-2-5(4-9)7(6)10(11)12;/h1-3H,4,9H2;1H.
What are the key properties of (3-chloro-2-nitrophenyl)methanamine;hydrochloride?
(3-chloro-2-nitrophenyl)methanamine;hydrochloride has a molecular weight of 223.06 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-nitrophenyl)methanamine;hydrochloride is sourced from PubChem (CID 155970925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).