N-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide

C14H12BrClN2O2 — CID 61215492

IUPACN-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide
SMILESCOCc1c(Br)cccc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C14H12BrClN2O2/c1-20-8-10-11(15)5-2-6-12(10)18-14(19)9-4-3-7-17-13(9)16/h2-7H,8H2,1H3,(H,18,19)
InChIKeyWEGUXJLSLSKWIA-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.90
Rot. Bonds4

About N-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide

N-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide (PubChem CID 61215492) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is N-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide
PubChem CID61215492
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC NameN-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide
SMILESCOCc1c(Br)cccc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C14H12BrClN2O2/c1-20-8-10-11(15)5-2-6-12(10)18-14(19)9-4-3-7-17-13(9)16/h2-7H,8H2,1H3,(H,18,19)
InChIKeyWEGUXJLSLSKWIA-UHFFFAOYSA-N
XLogP3.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
N-[3-bromo-2-(methoxymethyl)phenyl]-4-iodobenzamide
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CID 103221890
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide
CID 60710404
N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide
CID 81027409
N-[3-bromo-2-(methoxymethyl)phenyl]-3-oxobutanamide
CID 61215647
2-chloro-N-(methoxymethyl)pyridine-3-carboxamide
CID 71433413
N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide
CID 63374766
N-(2-bromophenyl)-2-methoxypyridine-3-carboxamide
CID 55023834
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide
CID 103274583
2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide
CID 61041501

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide?
The IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide (CID 61215492) is N-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide is COCc1c(Br)cccc1NC(=O)c1cccnc1Cl.
What is the InChIKey of N-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide?
The InChIKey is WEGUXJLSLSKWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-20-8-10-11(15)5-2-6-12(10)18-14(19)9-4-3-7-17-13(9)16/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of N-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide?
N-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide has a molecular weight of 355.62 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 61215492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).