2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide

C7H4BrClF2N2O — CID 118999675

IUPAC2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide
SMILESNC(=O)c1c(C(F)F)cnc(Br)c1Cl
InChIInChI=1S/C7H4BrClF2N2O/c8-5-4(9)3(7(12)14)2(1-13-5)6(10)11/h1,6H,(H2,12,14)
InChIKeyGCPZBNJNURVGFW-UHFFFAOYSA-N
MW285.48 g/mol
LogP2.53
Rot. Bonds2

About 2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide

2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide (PubChem CID 118999675) has the molecular formula C7H4BrClF2N2O and a molecular weight of 285.48 g/mol. Its IUPAC name is 2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide
PubChem CID118999675
Molecular FormulaC7H4BrClF2N2O
Molecular Weight285.48 g/mol
Exact Mass283.92
IUPAC Name2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide
SMILESNC(=O)c1c(C(F)F)cnc(Br)c1Cl
InChIInChI=1S/C7H4BrClF2N2O/c8-5-4(9)3(7(12)14)2(1-13-5)6(10)11/h1,6H,(H2,12,14)
InChIKeyGCPZBNJNURVGFW-UHFFFAOYSA-N
XLogP2.53
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide
CID 119011099
2-bromo-5-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069537
2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide
CID 119016650
6-bromo-5-chloro-4-(difluoromethyl)pyridin-3-ol
CID 130107825
3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide
CID 119025298
4-bromo-5-(difluoromethyl)-2-methoxypyridine-3-carboxamide
CID 118816904
2-bromo-4-(difluoromethyl)-6-fluoropyridine-3-carboxamide
CID 119010970
2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119024376
3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 130075315
2-[4-bromo-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130108379
2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130108367
methyl 2-bromo-5-(difluoromethyl)-3-fluoropyridine-4-carboxylate
CID 130109765

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide (CID 118999675) is 2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide is NC(=O)c1c(C(F)F)cnc(Br)c1Cl.
What is the InChIKey of 2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide?
The InChIKey is GCPZBNJNURVGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2N2O/c8-5-4(9)3(7(12)14)2(1-13-5)6(10)11/h1,6H,(H2,12,14).
What are the key properties of 2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide?
2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide has a molecular weight of 285.48 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 118999675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).