(4-nitro-2-pyridinyl)methanamine;dihydrochloride

C6H9Cl2N3O2 — CID 131844591

IUPAC(4-nitro-2-pyridinyl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C6H7N3O2.2ClH/c7-4-5-3-6(9(10)11)1-2-8-5;;/h1-3H,4,7H2;2*1H
InChIKeyKLXLRUGRWOKYQR-UHFFFAOYSA-N
MW226.06 g/mol
LogP1.29
Rot. Bonds2

About (4-nitro-2-pyridinyl)methanamine;dihydrochloride

(4-nitro-2-pyridinyl)methanamine;dihydrochloride (PubChem CID 131844591) has the molecular formula C6H9Cl2N3O2 and a molecular weight of 226.06 g/mol. Its IUPAC name is (4-nitro-2-pyridinyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(4-nitro-2-pyridinyl)methanamine;dihydrochloride
PubChem CID131844591
Molecular FormulaC6H9Cl2N3O2
Molecular Weight226.06 g/mol
Exact Mass225.01
IUPAC Name(4-nitro-2-pyridinyl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C6H7N3O2.2ClH/c7-4-5-3-6(9(10)11)1-2-8-5;;/h1-3H,4,7H2;2*1H
InChIKeyKLXLRUGRWOKYQR-UHFFFAOYSA-N
XLogP1.29
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 51.29
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

(4-nitro-2-pyridinyl)methyl acetate
CID 14761430
N-[(4-nitro-2-pyridinyl)methyl]ethanamine
CID 91754303
2-(aminomethyl)-N-(2-chloro-4-nitrophenyl)pyridine-4-carboxamide
CID 114325780
N-ethyl-3,3-dimethyl-1-(4-nitro-2-pyridinyl)butan-2-amine
CID 63201814
2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine
CID 65362426
2,3-dimethyl-2-N-(4-nitro-2-pyridinyl)butane-1,2-diamine
CID 113284079
2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine
CID 79251179
N-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 63199442
(2S,3S)-2-amino-3-[2-[[4,7-bis[(4-nitro-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]-4-pyridinyl]-3-hydroxypropanal
CID 89334565
4-(4-nitro-2-pyridinyl)but-3-enamide
CID 170797871
2-(difluoromethoxy)-4-nitropyridine
CID 130836809
1,1-dimethyl-2-(4-nitro-2-pyridinyl)hydrazine
CID 83025826

Frequently Asked Questions

What is the IUPAC name of (4-nitro-2-pyridinyl)methanamine;dihydrochloride?
The IUPAC name of (4-nitro-2-pyridinyl)methanamine;dihydrochloride (CID 131844591) is (4-nitro-2-pyridinyl)methanamine;dihydrochloride.
What is the SMILES notation for (4-nitro-2-pyridinyl)methanamine;dihydrochloride?
The canonical SMILES for (4-nitro-2-pyridinyl)methanamine;dihydrochloride is Cl.Cl.NCc1cc([N+](=O)[O-])ccn1.
What is the InChIKey of (4-nitro-2-pyridinyl)methanamine;dihydrochloride?
The InChIKey is KLXLRUGRWOKYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2.2ClH/c7-4-5-3-6(9(10)11)1-2-8-5;;/h1-3H,4,7H2;2*1H.
What are the key properties of (4-nitro-2-pyridinyl)methanamine;dihydrochloride?
(4-nitro-2-pyridinyl)methanamine;dihydrochloride has a molecular weight of 226.06 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitro-2-pyridinyl)methanamine;dihydrochloride is sourced from PubChem (CID 131844591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).