N-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide

C14H12ClFN2O3 — CID 61294193

IUPACN-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)c2ccnc(F)c2)cc1OC
InChIInChI=1S/C14H12ClFN2O3/c1-20-11-6-9(15)10(7-12(11)21-2)18-14(19)8-3-4-17-13(16)5-8/h3-7H,1-2H3,(H,18,19)
InChIKeyPINYLEINUMCNNS-UHFFFAOYSA-N
MW310.71 g/mol
LogP3.14
Rot. Bonds4

About N-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide

N-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide (PubChem CID 61294193) has the molecular formula C14H12ClFN2O3 and a molecular weight of 310.71 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide
PubChem CID61294193
Molecular FormulaC14H12ClFN2O3
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)c2ccnc(F)c2)cc1OC
InChIInChI=1S/C14H12ClFN2O3/c1-20-11-6-9(15)10(7-12(11)21-2)18-14(19)8-3-4-17-13(16)5-8/h3-7H,1-2H3,(H,18,19)
InChIKeyPINYLEINUMCNNS-UHFFFAOYSA-N
XLogP3.14
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide
CID 17443015
2-chloro-N-(4,5-dimethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 32694497
N-(2-chloro-4,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149498
N-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide
CID 103799816
2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 61293421
2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 103754076
5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 62954749
N-(2-chloro-4,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 18139978
N-(2-ethoxy-4-fluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61294013
N-[5-chloro-2-(dimethylamino)phenyl]-2-fluoropyridine-4-carboxamide
CID 60565434
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate
CID 61292895

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide (CID 61294193) is N-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide is COc1cc(Cl)c(NC(=O)c2ccnc(F)c2)cc1OC.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide?
The InChIKey is PINYLEINUMCNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O3/c1-20-11-6-9(15)10(7-12(11)21-2)18-14(19)8-3-4-17-13(16)5-8/h3-7H,1-2H3,(H,18,19).
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide?
N-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide has a molecular weight of 310.71 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 61294193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).