5-bromo-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine

C15H14BrN3O2 — CID 63462010

IUPAC5-bromo-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
SMILESO=[N+]([O-])c1cc(Br)cnc1Nc1cccc2c1CCCC2
InChIInChI=1S/C15H14BrN3O2/c16-11-8-14(19(20)21)15(17-9-11)18-13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7-9H,1-2,4,6H2,(H,17,18)
InChIKeyJQQQLYJQKRLEOL-UHFFFAOYSA-N
MW348.20 g/mol
LogP4.37
Rot. Bonds3

About 5-bromo-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine

5-bromo-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine (PubChem CID 63462010) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 5-bromo-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
PubChem CID63462010
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name5-bromo-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
SMILESO=[N+]([O-])c1cc(Br)cnc1Nc1cccc2c1CCCC2
InChIInChI=1S/C15H14BrN3O2/c16-11-8-14(19(20)21)15(17-9-11)18-13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7-9H,1-2,4,6H2,(H,17,18)
InChIKeyJQQQLYJQKRLEOL-UHFFFAOYSA-N
XLogP4.37
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine
CID 63463330
5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine
CID 63462837
5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine
CID 61375655
5-bromo-N-(4-bromophenyl)-3-nitropyridin-2-amine
CID 63462190
5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine
CID 61375850
5-bromo-N-cycloheptyl-3-nitropyridin-2-amine
CID 61227669
5-bromo-N-(3,4-dimethylphenyl)-3-nitropyridin-2-amine
CID 63462334
5-bromo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-pyrimidin-6-one
CID 136970437
4-[(5-bromo-3-nitro-2-pyridinyl)amino]benzene-1,2-dicarbonitrile
CID 107793116
5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 80920340
6-(2-bromoanilino)-5-nitropyridine-3-carboxylic acid
CID 81437692
5-[(5-bromo-3-nitro-2-pyridinyl)amino]-2-methylbenzoic acid
CID 63652651

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine (CID 63462010) is 5-bromo-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine is O=[N+]([O-])c1cc(Br)cnc1Nc1cccc2c1CCCC2.
What is the InChIKey of 5-bromo-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine?
The InChIKey is JQQQLYJQKRLEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c16-11-8-14(19(20)21)15(17-9-11)18-13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7-9H,1-2,4,6H2,(H,17,18).
What are the key properties of 5-bromo-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine?
5-bromo-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine has a molecular weight of 348.20 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine is sourced from PubChem (CID 63462010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).