1-(6-methyl-5-nitro-2-pyridinyl)butan-1-imine

C10H13N3O2 — CID 174573971

IUPAC1-(6-methyl-5-nitro-2-pyridinyl)butan-1-imine
SMILES[H]/N=C(\CCC)c1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C10H13N3O2/c1-3-4-8(11)9-5-6-10(13(14)15)7(2)12-9/h5-6,11H,3-4H2,1-2H3/b11-8+
InChIKeyZSJBCKZAEIKDGH-DHZHZOJOSA-N
MW207.23 g/mol
LogP2.47
Rot. Bonds4

About 1-(6-methyl-5-nitro-2-pyridinyl)butan-1-imine

1-(6-methyl-5-nitro-2-pyridinyl)butan-1-imine (PubChem CID 174573971) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(6-methyl-5-nitro-2-pyridinyl)butan-1-imine.

Molecular Properties

Compound Name1-(6-methyl-5-nitro-2-pyridinyl)butan-1-imine
PubChem CID174573971
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-(6-methyl-5-nitro-2-pyridinyl)butan-1-imine
SMILES[H]/N=C(\CCC)c1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C10H13N3O2/c1-3-4-8(11)9-5-6-10(13(14)15)7(2)12-9/h5-6,11H,3-4H2,1-2H3/b11-8+
InChIKeyZSJBCKZAEIKDGH-DHZHZOJOSA-N
XLogP2.47
TPSA79.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

(2E)-2-[amino-(6-methyl-5-nitro-2-pyridinyl)methylidene]pentanoic acid
CID 166948966
5-butanimidoyl-2-nitroaniline
CID 174476630
1-(2,6-dimethyl-3-pyridinyl)butan-1-imine
CID 142310807
tributyl-(6-methyl-5-nitro-2-pyridinyl)stannane
CID 142520451
6-(4-chlorobut-1-ynyl)-2-methyl-3-nitropyridine
CID 170468087
1-(6-chloro-5-nitro-2-pyridinyl)propan-1-one
CID 164914777
2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 11424958
(E)-3-(6-chloro-5-nitro-2-pyridinyl)-4-iminopent-2-en-2-amine
CID 145209645
methyl 2-[4-butanimidoyl-6-methyl-2-[(4-nitrophenyl)methyl]pyrimidin-5-yl]acetate
CID 174491447
(2R)-2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol
CID 97329550
N-butyl-3-(6-methyl-5-nitro-2-pyridinyl)prop-2-enamide
CID 71326568
1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol
CID 11436054

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-5-nitro-2-pyridinyl)butan-1-imine?
The IUPAC name of 1-(6-methyl-5-nitro-2-pyridinyl)butan-1-imine (CID 174573971) is 1-(6-methyl-5-nitro-2-pyridinyl)butan-1-imine.
What is the SMILES notation for 1-(6-methyl-5-nitro-2-pyridinyl)butan-1-imine?
The canonical SMILES for 1-(6-methyl-5-nitro-2-pyridinyl)butan-1-imine is [H]/N=C(\CCC)c1ccc([N+](=O)[O-])c(C)n1.
What is the InChIKey of 1-(6-methyl-5-nitro-2-pyridinyl)butan-1-imine?
The InChIKey is ZSJBCKZAEIKDGH-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-3-4-8(11)9-5-6-10(13(14)15)7(2)12-9/h5-6,11H,3-4H2,1-2H3/b11-8+.
What are the key properties of 1-(6-methyl-5-nitro-2-pyridinyl)butan-1-imine?
1-(6-methyl-5-nitro-2-pyridinyl)butan-1-imine has a molecular weight of 207.23 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-5-nitro-2-pyridinyl)butan-1-imine is sourced from PubChem (CID 174573971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).