N'-[3-bromo-6-[hydroxy(methoxy)methyl]-2-pyridinyl]-N,N-dimethylmethanimidamide

C10H14BrN3O2 — CID 174019565

IUPACN'-[3-bromo-6-[hydroxy(methoxy)methyl]-2-pyridinyl]-N,N-dimethylmethanimidamide
SMILESCOC(O)c1ccc(Br)c(N=CN(C)C)n1
InChIInChI=1S/C10H14BrN3O2/c1-14(2)6-12-9-7(11)4-5-8(13-9)10(15)16-3/h4-6,10,15H,1-3H3
InChIKeyLHTLTSBCVYXZPT-UHFFFAOYSA-N
MW288.15 g/mol
LogP1.70
Rot. Bonds4

About N'-[3-bromo-6-[hydroxy(methoxy)methyl]-2-pyridinyl]-N,N-dimethylmethanimidamide

N'-[3-bromo-6-[hydroxy(methoxy)methyl]-2-pyridinyl]-N,N-dimethylmethanimidamide (PubChem CID 174019565) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.15 g/mol. Its IUPAC name is N'-[3-bromo-6-[hydroxy(methoxy)methyl]-2-pyridinyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[3-bromo-6-[hydroxy(methoxy)methyl]-2-pyridinyl]-N,N-dimethylmethanimidamide
PubChem CID174019565
Molecular FormulaC10H14BrN3O2
Molecular Weight288.15 g/mol
Exact Mass287.03
IUPAC NameN'-[3-bromo-6-[hydroxy(methoxy)methyl]-2-pyridinyl]-N,N-dimethylmethanimidamide
SMILESCOC(O)c1ccc(Br)c(N=CN(C)C)n1
InChIInChI=1S/C10H14BrN3O2/c1-14(2)6-12-9-7(11)4-5-8(13-9)10(15)16-3/h4-6,10,15H,1-3H3
InChIKeyLHTLTSBCVYXZPT-UHFFFAOYSA-N
XLogP1.70
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-bromo-6-[hydroxy(methoxy)methyl]-2-pyridinyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[3-bromo-6-[hydroxy(methoxy)methyl]-2-pyridinyl]-N,N-dimethylmethanimidamide (CID 174019565) is N'-[3-bromo-6-[hydroxy(methoxy)methyl]-2-pyridinyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[3-bromo-6-[hydroxy(methoxy)methyl]-2-pyridinyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[3-bromo-6-[hydroxy(methoxy)methyl]-2-pyridinyl]-N,N-dimethylmethanimidamide is COC(O)c1ccc(Br)c(N=CN(C)C)n1.
What is the InChIKey of N'-[3-bromo-6-[hydroxy(methoxy)methyl]-2-pyridinyl]-N,N-dimethylmethanimidamide?
The InChIKey is LHTLTSBCVYXZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-14(2)6-12-9-7(11)4-5-8(13-9)10(15)16-3/h4-6,10,15H,1-3H3.
What are the key properties of N'-[3-bromo-6-[hydroxy(methoxy)methyl]-2-pyridinyl]-N,N-dimethylmethanimidamide?
N'-[3-bromo-6-[hydroxy(methoxy)methyl]-2-pyridinyl]-N,N-dimethylmethanimidamide has a molecular weight of 288.15 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-bromo-6-[hydroxy(methoxy)methyl]-2-pyridinyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 174019565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).