N-(3-chloro-2-pyridinyl)-6-fluoropyridine-3-carboxamide

C11H7ClFN3O — CID 103943564

IUPACN-(3-chloro-2-pyridinyl)-6-fluoropyridine-3-carboxamide
SMILESO=C(Nc1ncccc1Cl)c1ccc(F)nc1
InChIInChI=1S/C11H7ClFN3O/c12-8-2-1-5-14-10(8)16-11(17)7-3-4-9(13)15-6-7/h1-6H,(H,14,16,17)
InChIKeyRNYQEYYTCBEOEZ-UHFFFAOYSA-N
MW251.65 g/mol
LogP2.52
Rot. Bonds2

About N-(3-chloro-2-pyridinyl)-6-fluoropyridine-3-carboxamide

N-(3-chloro-2-pyridinyl)-6-fluoropyridine-3-carboxamide (PubChem CID 103943564) has the molecular formula C11H7ClFN3O and a molecular weight of 251.65 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-6-fluoropyridine-3-carboxamide
PubChem CID103943564
Molecular FormulaC11H7ClFN3O
Molecular Weight251.65 g/mol
Exact Mass251.03
IUPAC NameN-(3-chloro-2-pyridinyl)-6-fluoropyridine-3-carboxamide
SMILESO=C(Nc1ncccc1Cl)c1ccc(F)nc1
InChIInChI=1S/C11H7ClFN3O/c12-8-2-1-5-14-10(8)16-11(17)7-3-4-9(13)15-6-7/h1-6H,(H,14,16,17)
InChIKeyRNYQEYYTCBEOEZ-UHFFFAOYSA-N
XLogP2.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.65
LogP ≤ 52.52
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-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 63978781
N-(3-chloro-2-pyridinyl)-4-(ethylamino)benzamide
CID 103094902
4-bromo-N-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 103943463
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103943460
2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide
CID 102610397
3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide
CID 106547626
N-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 115761018
2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide
CID 104952774
3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide
CID 103094075
6-fluoro-N-pyrazin-2-ylpyridine-3-carboxamide
CID 63971040
3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide
CID 103094260

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-6-fluoropyridine-3-carboxamide (CID 103943564) is N-(3-chloro-2-pyridinyl)-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-6-fluoropyridine-3-carboxamide is O=C(Nc1ncccc1Cl)c1ccc(F)nc1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-6-fluoropyridine-3-carboxamide?
The InChIKey is RNYQEYYTCBEOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3O/c12-8-2-1-5-14-10(8)16-11(17)7-3-4-9(13)15-6-7/h1-6H,(H,14,16,17).
What are the key properties of N-(3-chloro-2-pyridinyl)-6-fluoropyridine-3-carboxamide?
N-(3-chloro-2-pyridinyl)-6-fluoropyridine-3-carboxamide has a molecular weight of 251.65 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 103943564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).