4-(chloromethyl)-5-nitropyridin-2-amine

C6H6ClN3O2 — CID 19034780

IUPAC4-(chloromethyl)-5-nitropyridin-2-amine
SMILESNc1cc(CCl)c([N+](=O)[O-])cn1
InChIInChI=1S/C6H6ClN3O2/c7-2-4-1-6(8)9-3-5(4)10(11)12/h1,3H,2H2,(H2,8,9)
InChIKeyXGLGJFHWRZPJSX-UHFFFAOYSA-N
MW187.59 g/mol
LogP1.31
Rot. Bonds2

About 4-(chloromethyl)-5-nitropyridin-2-amine

4-(chloromethyl)-5-nitropyridin-2-amine (PubChem CID 19034780) has the molecular formula C6H6ClN3O2 and a molecular weight of 187.59 g/mol. Its IUPAC name is 4-(chloromethyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-5-nitropyridin-2-amine
PubChem CID19034780
Molecular FormulaC6H6ClN3O2
Molecular Weight187.59 g/mol
Exact Mass187.01
IUPAC Name4-(chloromethyl)-5-nitropyridin-2-amine
SMILESNc1cc(CCl)c([N+](=O)[O-])cn1
InChIInChI=1S/C6H6ClN3O2/c7-2-4-1-6(8)9-3-5(4)10(11)12/h1,3H,2H2,(H2,8,9)
InChIKeyXGLGJFHWRZPJSX-UHFFFAOYSA-N
XLogP1.31
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-nitro-4-pentylpyridin-2-amine
CID 67635869
4-(chloromethyl)-2-(difluoromethyl)-5-nitropyridine
CID 130097922
2-amino-5-nitropyridine-4-carboxamide
CID 19034952
2-amino-5-nitropyridine-4-carboxylate
CID 71302450
2-(2-chloro-5-nitro-4-pyridinyl)ethanol
CID 87350535
3-(chloromethyl)-4-nitrophenol
CID 15065078
4-N-(2-methoxyethyl)-5-nitropyridine-2,4-diamine
CID 130469784
5-nitroisoquinolin-3-amine
CID 174817453
2-chloro-3-(chloromethyl)-5-nitropyridine
CID 172831789
2,4-bis(chloromethyl)-5-nitropyrimidine
CID 146195056
2-amino-5-nitro-N-pentylpyridine-4-sulfonamide
CID 67636553
2-bromo-3-(chloromethyl)-5-nitropyridine
CID 131012860

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-nitropyridin-2-amine?
The IUPAC name of 4-(chloromethyl)-5-nitropyridin-2-amine (CID 19034780) is 4-(chloromethyl)-5-nitropyridin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-5-nitropyridin-2-amine?
The canonical SMILES for 4-(chloromethyl)-5-nitropyridin-2-amine is Nc1cc(CCl)c([N+](=O)[O-])cn1.
What is the InChIKey of 4-(chloromethyl)-5-nitropyridin-2-amine?
The InChIKey is XGLGJFHWRZPJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2/c7-2-4-1-6(8)9-3-5(4)10(11)12/h1,3H,2H2,(H2,8,9).
What are the key properties of 4-(chloromethyl)-5-nitropyridin-2-amine?
4-(chloromethyl)-5-nitropyridin-2-amine has a molecular weight of 187.59 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 19034780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).