2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide

C11H6ClF2N3O — CID 103893264

IUPAC2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cc(F)cnc1Cl
InChIInChI=1S/C11H6ClF2N3O/c12-10-8(3-7(14)5-16-10)11(18)17-9-2-1-6(13)4-15-9/h1-5H,(H,15,17,18)
InChIKeyPPOFSGBISHJQAN-UHFFFAOYSA-N
MW269.64 g/mol
LogP2.66
Rot. Bonds2

About 2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide

2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 103893264) has the molecular formula C11H6ClF2N3O and a molecular weight of 269.64 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
PubChem CID103893264
Molecular FormulaC11H6ClF2N3O
Molecular Weight269.64 g/mol
Exact Mass269.02
IUPAC Name2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cc(F)cnc1Cl
InChIInChI=1S/C11H6ClF2N3O/c12-10-8(3-7(14)5-16-10)11(18)17-9-2-1-6(13)4-15-9/h1-5H,(H,15,17,18)
InChIKeyPPOFSGBISHJQAN-UHFFFAOYSA-N
XLogP2.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.64
LogP ≤ 52.66
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

N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 103891263
N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 114034261
2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide
CID 114034323
N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757101
2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87757105
2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 103893174
2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide
CID 103891458
2-chloro-N-(4-cyanophenyl)-5-fluoropyridine-3-carboxamide
CID 103893052
N-(2-carbamoylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 103891694
2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 113347090

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide (CID 103893264) is 2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)cn1)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide?
The InChIKey is PPOFSGBISHJQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF2N3O/c12-10-8(3-7(14)5-16-10)11(18)17-9-2-1-6(13)4-15-9/h1-5H,(H,15,17,18).
What are the key properties of 2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide?
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide has a molecular weight of 269.64 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 103893264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).