N-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide

C12H6BrClF2N2O — CID 43237002

IUPACN-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)c1ccnc(Cl)c1
InChIInChI=1S/C12H6BrClF2N2O/c13-8-4-7(15)5-9(16)11(8)18-12(19)6-1-2-17-10(14)3-6/h1-5H,(H,18,19)
InChIKeyLRDKDRAGWYDRGN-UHFFFAOYSA-N
MW347.55 g/mol
LogP4.03
Rot. Bonds2

About N-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide

N-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide (PubChem CID 43237002) has the molecular formula C12H6BrClF2N2O and a molecular weight of 347.55 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide
PubChem CID43237002
Molecular FormulaC12H6BrClF2N2O
Molecular Weight347.55 g/mol
Exact Mass345.93
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)c1ccnc(Cl)c1
InChIInChI=1S/C12H6BrClF2N2O/c13-8-4-7(15)5-9(16)11(8)18-12(19)6-1-2-17-10(14)3-6/h1-5H,(H,18,19)
InChIKeyLRDKDRAGWYDRGN-UHFFFAOYSA-N
XLogP4.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.55
LogP ≤ 54.03
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

N-(4-bromo-2,6-difluorophenyl)-2-chloropyridine-4-carboxamide
CID 65469908
N-(2-bromo-4,6-difluorophenyl)-3-hydroxybenzamide
CID 43132174
3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide
CID 81471642
3-bromo-N-(2-chloro-4-pyridinyl)-4-fluorobenzamide
CID 107952988
3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 103878381
N-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide
CID 102850915
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 103867801
2-bromo-N-(4-bromo-2,6-difluorophenyl)pyridine-4-carboxamide
CID 103759038
N-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide
CID 43090996
N-(2-amino-4,6-difluorophenyl)-4-bromo-3-chlorobenzamide
CID 81313689
4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid
CID 103871818
5-amino-N-(2-bromo-4,6-difluorophenyl)pyrazine-2-carboxamide
CID 107374421

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide (CID 43237002) is N-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide is O=C(Nc1c(F)cc(F)cc1Br)c1ccnc(Cl)c1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide?
The InChIKey is LRDKDRAGWYDRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClF2N2O/c13-8-4-7(15)5-9(16)11(8)18-12(19)6-1-2-17-10(14)3-6/h1-5H,(H,18,19).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide?
N-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide has a molecular weight of 347.55 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide is sourced from PubChem (CID 43237002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).