N-[(3-bromo-4-chloro-6-methoxy-2-pyridinyl)methyl]formamide

C8H8BrClN2O2 — CID 122595022

IUPACN-[(3-bromo-4-chloro-6-methoxy-2-pyridinyl)methyl]formamide
SMILESCOc1cc(Cl)c(Br)c(CNC=O)n1
InChIInChI=1S/C8H8BrClN2O2/c1-14-7-2-5(10)8(9)6(12-7)3-11-4-13/h2,4H,3H2,1H3,(H,11,13)
InChIKeyRUALBVCKJJGDQN-UHFFFAOYSA-N
MW279.52 g/mol
LogP1.75
Rot. Bonds4

About N-[(3-bromo-4-chloro-6-methoxy-2-pyridinyl)methyl]formamide

N-[(3-bromo-4-chloro-6-methoxy-2-pyridinyl)methyl]formamide (PubChem CID 122595022) has the molecular formula C8H8BrClN2O2 and a molecular weight of 279.52 g/mol. Its IUPAC name is N-[(3-bromo-4-chloro-6-methoxy-2-pyridinyl)methyl]formamide.

Molecular Properties

Compound NameN-[(3-bromo-4-chloro-6-methoxy-2-pyridinyl)methyl]formamide
PubChem CID122595022
Molecular FormulaC8H8BrClN2O2
Molecular Weight279.52 g/mol
Exact Mass277.95
IUPAC NameN-[(3-bromo-4-chloro-6-methoxy-2-pyridinyl)methyl]formamide
SMILESCOc1cc(Cl)c(Br)c(CNC=O)n1
InChIInChI=1S/C8H8BrClN2O2/c1-14-7-2-5(10)8(9)6(12-7)3-11-4-13/h2,4H,3H2,1H3,(H,11,13)
InChIKeyRUALBVCKJJGDQN-UHFFFAOYSA-N
XLogP1.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.52
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chloro-6-methoxy-2-pyridinyl)methyl]formamide?
The IUPAC name of N-[(3-bromo-4-chloro-6-methoxy-2-pyridinyl)methyl]formamide (CID 122595022) is N-[(3-bromo-4-chloro-6-methoxy-2-pyridinyl)methyl]formamide.
What is the SMILES notation for N-[(3-bromo-4-chloro-6-methoxy-2-pyridinyl)methyl]formamide?
The canonical SMILES for N-[(3-bromo-4-chloro-6-methoxy-2-pyridinyl)methyl]formamide is COc1cc(Cl)c(Br)c(CNC=O)n1.
What is the InChIKey of N-[(3-bromo-4-chloro-6-methoxy-2-pyridinyl)methyl]formamide?
The InChIKey is RUALBVCKJJGDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O2/c1-14-7-2-5(10)8(9)6(12-7)3-11-4-13/h2,4H,3H2,1H3,(H,11,13).
What are the key properties of N-[(3-bromo-4-chloro-6-methoxy-2-pyridinyl)methyl]formamide?
N-[(3-bromo-4-chloro-6-methoxy-2-pyridinyl)methyl]formamide has a molecular weight of 279.52 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-chloro-6-methoxy-2-pyridinyl)methyl]formamide is sourced from PubChem (CID 122595022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).