5-bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]pyridin-2-amine

C14H14BrN3O3 — CID 71846210

IUPAC5-bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]pyridin-2-amine
SMILESCCOc1ccc([N+](=O)[O-])cc1CNc1ccc(Br)cn1
InChIInChI=1S/C14H14BrN3O3/c1-2-21-13-5-4-12(18(19)20)7-10(13)8-16-14-6-3-11(15)9-17-14/h3-7,9H,2,8H2,1H3,(H,16,17)
InChIKeyGXOPHGULBKKSHO-UHFFFAOYSA-N
MW352.19 g/mol
LogP3.76
Rot. Bonds6

About 5-bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]pyridin-2-amine

5-bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]pyridin-2-amine (PubChem CID 71846210) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 5-bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]pyridin-2-amine
PubChem CID71846210
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name5-bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]pyridin-2-amine
SMILESCCOc1ccc([N+](=O)[O-])cc1CNc1ccc(Br)cn1
InChIInChI=1S/C14H14BrN3O3/c1-2-21-13-5-4-12(18(19)20)7-10(13)8-16-14-6-3-11(15)9-17-14/h3-7,9H,2,8H2,1H3,(H,16,17)
InChIKeyGXOPHGULBKKSHO-UHFFFAOYSA-N
XLogP3.76
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2-ethoxy-5-nitrophenyl)methanamine
CID 43472563
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
2-bromo-N-[(2-ethoxyphenyl)methyl]-4-nitroaniline
CID 43742230
3-[(2-ethoxy-5-nitrophenyl)methylamino]-2-methylbutan-1-ol
CID 111448495
2,4-dibromo-N-[(2-methoxy-5-nitrophenyl)methyl]aniline
CID 63492407
N-[(2-ethoxy-5-nitrophenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 47091112
N-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine
CID 63056250
N-[[2-(ethoxymethoxy)-5-nitrophenyl]methyl]ethanamine
CID 65369396
N-[(2-butoxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine
CID 63055751
N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide
CID 43389509
N-[(5-chloro-2-ethoxyphenyl)methyl]-N'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine
CID 4717734
N-[(2-methoxy-5-nitrophenyl)methyl]-3,5-dimethylaniline
CID 43212565

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]pyridin-2-amine (CID 71846210) is 5-bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]pyridin-2-amine is CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]pyridin-2-amine?
The InChIKey is GXOPHGULBKKSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c1-2-21-13-5-4-12(18(19)20)7-10(13)8-16-14-6-3-11(15)9-17-14/h3-7,9H,2,8H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]pyridin-2-amine?
5-bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]pyridin-2-amine has a molecular weight of 352.19 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-ethoxy-5-nitrophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 71846210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).