(2-amino-5-nitro-3-pyridinyl)-(ethylamino)methanol

C8H12N4O3 — CID 144975049

IUPAC(2-amino-5-nitro-3-pyridinyl)-(ethylamino)methanol
SMILESCCNC(O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C8H12N4O3/c1-2-10-8(13)6-3-5(12(14)15)4-11-7(6)9/h3-4,8,10,13H,2H2,1H3,(H2,9,11)
InChIKeyIHMKVHWEPGQVGN-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.17
Rot. Bonds4

About (2-amino-5-nitro-3-pyridinyl)-(ethylamino)methanol

(2-amino-5-nitro-3-pyridinyl)-(ethylamino)methanol (PubChem CID 144975049) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is (2-amino-5-nitro-3-pyridinyl)-(ethylamino)methanol.

Molecular Properties

Compound Name(2-amino-5-nitro-3-pyridinyl)-(ethylamino)methanol
PubChem CID144975049
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name(2-amino-5-nitro-3-pyridinyl)-(ethylamino)methanol
SMILESCCNC(O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C8H12N4O3/c1-2-10-8(13)6-3-5(12(14)15)4-11-7(6)9/h3-4,8,10,13H,2H2,1H3,(H2,9,11)
InChIKeyIHMKVHWEPGQVGN-UHFFFAOYSA-N
XLogP0.17
TPSA114.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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

3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine
CID 131043079
methyl 4-(2-amino-5-nitro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171896095
2-amino-N-(1-ethylsulfanylpropan-2-yl)-5-nitropyridine-3-carboxamide
CID 104589699
2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide
CID 104589876
ethyl 3-(2-chloro-5-nitro-3-pyridinyl)-2,3-dihydroxypropanoate
CID 171866471
2-amino-N-(3,3-dimethylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104592038
N-ethyl-3-(5-nitropyrimidin-2-yl)butan-2-amine
CID 63199611
2-amino-N-(4-methoxybutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104587721
N-ethyl-2-(3-methyl-5-nitro-2-pyridinyl)-1-phenylethanamine
CID 63199963
2-amino-5-nitro-N-(2,3,3-trimethylbutyl)pyridine-3-carboxamide
CID 104589408
2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide
CID 113373704
(2R)-1-(5-nitropyrimidin-2-yl)oxypropan-2-ol
CID 139508595

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-nitro-3-pyridinyl)-(ethylamino)methanol?
The IUPAC name of (2-amino-5-nitro-3-pyridinyl)-(ethylamino)methanol (CID 144975049) is (2-amino-5-nitro-3-pyridinyl)-(ethylamino)methanol.
What is the SMILES notation for (2-amino-5-nitro-3-pyridinyl)-(ethylamino)methanol?
The canonical SMILES for (2-amino-5-nitro-3-pyridinyl)-(ethylamino)methanol is CCNC(O)c1cc([N+](=O)[O-])cnc1N.
What is the InChIKey of (2-amino-5-nitro-3-pyridinyl)-(ethylamino)methanol?
The InChIKey is IHMKVHWEPGQVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-2-10-8(13)6-3-5(12(14)15)4-11-7(6)9/h3-4,8,10,13H,2H2,1H3,(H2,9,11).
What are the key properties of (2-amino-5-nitro-3-pyridinyl)-(ethylamino)methanol?
(2-amino-5-nitro-3-pyridinyl)-(ethylamino)methanol has a molecular weight of 212.21 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-nitro-3-pyridinyl)-(ethylamino)methanol is sourced from PubChem (CID 144975049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).