N-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide

C11H7ClFN3O — CID 107358819

IUPACN-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccn1)c1cccnc1F
InChIInChI=1S/C11H7ClFN3O/c12-7-3-5-14-9(6-7)16-11(17)8-2-1-4-15-10(8)13/h1-6H,(H,14,16,17)
InChIKeyGGQOKMSKMHMOHX-UHFFFAOYSA-N
MW251.65 g/mol
LogP2.52
Rot. Bonds2

About N-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide

N-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide (PubChem CID 107358819) has the molecular formula C11H7ClFN3O and a molecular weight of 251.65 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide
PubChem CID107358819
Molecular FormulaC11H7ClFN3O
Molecular Weight251.65 g/mol
Exact Mass251.03
IUPAC NameN-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccn1)c1cccnc1F
InChIInChI=1S/C11H7ClFN3O/c12-7-3-5-14-9(6-7)16-11(17)8-2-1-4-15-10(8)13/h1-6H,(H,14,16,17)
InChIKeyGGQOKMSKMHMOHX-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

5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide
CID 113236117
N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107362716
2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide
CID 113456910
2-amino-N-(4-chloro-2-pyridinyl)benzamide
CID 103950182
N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681910
4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide
CID 113342708
N-(4-chloro-2-pyridinyl)-3-hydroxypyridine-2-carboxamide
CID 104820977
N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 115678914
2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide
CID 114052160
N-(4-chloro-2-pyridinyl)-2-ethoxybenzamide
CID 113236114
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
N-(6-chloro-5-fluoro-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 177336273

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide (CID 107358819) is N-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide is O=C(Nc1cc(Cl)ccn1)c1cccnc1F.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide?
The InChIKey is GGQOKMSKMHMOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3O/c12-7-3-5-14-9(6-7)16-11(17)8-2-1-4-15-10(8)13/h1-6H,(H,14,16,17).
What are the key properties of N-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide?
N-(4-chloro-2-pyridinyl)-2-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-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 107358819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).