N'-[5-bromo-4-(difluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide

C9H10BrF2N3 — CID 121339579

IUPACN'-[5-bromo-4-(difluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1cc(C(F)F)c(Br)cn1
InChIInChI=1S/C9H10BrF2N3/c1-15(2)5-14-8-3-6(9(11)12)7(10)4-13-8/h3-5,9H,1-2H3/b14-5+
InChIKeyVNIAKEJEEBQNAQ-LHHJGKSTSA-N
MW278.10 g/mol
LogP3.00
Rot. Bonds3

About N'-[5-bromo-4-(difluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide

N'-[5-bromo-4-(difluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide (PubChem CID 121339579) has the molecular formula C9H10BrF2N3 and a molecular weight of 278.10 g/mol. Its IUPAC name is N'-[5-bromo-4-(difluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[5-bromo-4-(difluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide
PubChem CID121339579
Molecular FormulaC9H10BrF2N3
Molecular Weight278.10 g/mol
Exact Mass277.00
IUPAC NameN'-[5-bromo-4-(difluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1cc(C(F)F)c(Br)cn1
InChIInChI=1S/C9H10BrF2N3/c1-15(2)5-14-8-3-6(9(11)12)7(10)4-13-8/h3-5,9H,1-2H3/b14-5+
InChIKeyVNIAKEJEEBQNAQ-LHHJGKSTSA-N
XLogP3.00
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'-[5-bromo-4-(difluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[5-bromo-4-(difluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide (CID 121339579) is N'-[5-bromo-4-(difluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[5-bromo-4-(difluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[5-bromo-4-(difluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1cc(C(F)F)c(Br)cn1.
What is the InChIKey of N'-[5-bromo-4-(difluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide?
The InChIKey is VNIAKEJEEBQNAQ-LHHJGKSTSA-N. The full InChI is InChI=1S/C9H10BrF2N3/c1-15(2)5-14-8-3-6(9(11)12)7(10)4-13-8/h3-5,9H,1-2H3/b14-5+.
What are the key properties of N'-[5-bromo-4-(difluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide?
N'-[5-bromo-4-(difluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide has a molecular weight of 278.10 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-bromo-4-(difluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 121339579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).