2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide

C14H10BrN3O2 — CID 103751975

IUPAC2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide
SMILESN#CCOc1ccc(NC(=O)c2cccnc2Br)cc1
InChIInChI=1S/C14H10BrN3O2/c15-13-12(2-1-8-17-13)14(19)18-10-3-5-11(6-4-10)20-9-7-16/h1-6,8H,9H2,(H,18,19)
InChIKeyGQKHXDRYDSUKDY-UHFFFAOYSA-N
MW332.16 g/mol
LogP3.00
Rot. Bonds4

About 2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide

2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 103751975) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is 2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide
PubChem CID103751975
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC Name2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide
SMILESN#CCOc1ccc(NC(=O)c2cccnc2Br)cc1
InChIInChI=1S/C14H10BrN3O2/c15-13-12(2-1-8-17-13)14(19)18-10-3-5-11(6-4-10)20-9-7-16/h1-6,8H,9H2,(H,18,19)
InChIKeyGQKHXDRYDSUKDY-UHFFFAOYSA-N
XLogP3.00
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 103754024
N-[4-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 47847759
N-[4-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 30874024
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 103752138
4-bromo-N-[4-(cyanomethoxy)phenyl]-2-methylbenzamide
CID 43629917
2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide
CID 30873503
3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide
CID 103907443
2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide
CID 103751776
N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 61058980
2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 103754203
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 103756371
2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
CID 63679924

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide (CID 103751975) is 2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide is N#CCOc1ccc(NC(=O)c2cccnc2Br)cc1.
What is the InChIKey of 2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is GQKHXDRYDSUKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c15-13-12(2-1-8-17-13)14(19)18-10-3-5-11(6-4-10)20-9-7-16/h1-6,8H,9H2,(H,18,19).
What are the key properties of 2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide?
2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 332.16 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 103751975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).