3-chloro-2-(2-chloro-3-nitrophenyl)pyridin-4-amine

C11H7Cl2N3O2 — CID 175388180

IUPAC3-chloro-2-(2-chloro-3-nitrophenyl)pyridin-4-amine
SMILESNc1ccnc(-c2cccc([N+](=O)[O-])c2Cl)c1Cl
InChIInChI=1S/C11H7Cl2N3O2/c12-9-6(2-1-3-8(9)16(17)18)11-10(13)7(14)4-5-15-11/h1-5H,(H2,14,15)
InChIKeyXQAYXJYRBQEGKY-UHFFFAOYSA-N
MW284.10 g/mol
LogP3.55
Rot. Bonds2

About 3-chloro-2-(2-chloro-3-nitrophenyl)pyridin-4-amine

3-chloro-2-(2-chloro-3-nitrophenyl)pyridin-4-amine (PubChem CID 175388180) has the molecular formula C11H7Cl2N3O2 and a molecular weight of 284.10 g/mol. Its IUPAC name is 3-chloro-2-(2-chloro-3-nitrophenyl)pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-2-(2-chloro-3-nitrophenyl)pyridin-4-amine
PubChem CID175388180
Molecular FormulaC11H7Cl2N3O2
Molecular Weight284.10 g/mol
Exact Mass282.99
IUPAC Name3-chloro-2-(2-chloro-3-nitrophenyl)pyridin-4-amine
SMILESNc1ccnc(-c2cccc([N+](=O)[O-])c2Cl)c1Cl
InChIInChI=1S/C11H7Cl2N3O2/c12-9-6(2-1-3-8(9)16(17)18)11-10(13)7(14)4-5-15-11/h1-5H,(H2,14,15)
InChIKeyXQAYXJYRBQEGKY-UHFFFAOYSA-N
XLogP3.55
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 53.55
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'}

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Related Compounds

3-chloro-2-(5-fluoro-2-methyl-3-nitrophenyl)pyridin-4-amine
CID 175388187
5-nitroquinolin-4-amine
CID 53439998
2-(2-chloro-3-nitrophenyl)-4,5-dihydro-1H-imidazole
CID 166454548
2-(2,3-difluorophenyl)-3-nitropyridin-4-amine
CID 69134185
3-chloro-2,4-dinitropyridine
CID 174686743
3-chloro-2-iodo-4-nitropyridine
CID 131142975
3-chloro-2-methyl-4-nitropyridine
CID 21364039
2-chloro-1-(2-chloro-5-nitrophenyl)-3-nitrobenzene
CID 171785769
2-(3-nitro-2-pyridinyl)-3-pyridin-2-ylpyridine
CID 162355373
2-chloro-1-(18F)fluoro-3-nitrobenzene
CID 151209633
1-bromo-2-chloro-3-nitrobenzene
CID 22736053
4-(2-methyl-3-nitrophenyl)pyrimidin-2-amine
CID 141210561

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-chloro-3-nitrophenyl)pyridin-4-amine?
The IUPAC name of 3-chloro-2-(2-chloro-3-nitrophenyl)pyridin-4-amine (CID 175388180) is 3-chloro-2-(2-chloro-3-nitrophenyl)pyridin-4-amine.
What is the SMILES notation for 3-chloro-2-(2-chloro-3-nitrophenyl)pyridin-4-amine?
The canonical SMILES for 3-chloro-2-(2-chloro-3-nitrophenyl)pyridin-4-amine is Nc1ccnc(-c2cccc([N+](=O)[O-])c2Cl)c1Cl.
What is the InChIKey of 3-chloro-2-(2-chloro-3-nitrophenyl)pyridin-4-amine?
The InChIKey is XQAYXJYRBQEGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O2/c12-9-6(2-1-3-8(9)16(17)18)11-10(13)7(14)4-5-15-11/h1-5H,(H2,14,15).
What are the key properties of 3-chloro-2-(2-chloro-3-nitrophenyl)pyridin-4-amine?
3-chloro-2-(2-chloro-3-nitrophenyl)pyridin-4-amine has a molecular weight of 284.10 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-chloro-3-nitrophenyl)pyridin-4-amine is sourced from PubChem (CID 175388180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).