2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide

C14H12ClFN2O2 — CID 115588705

IUPAC2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccnc2Cl)cc1F
InChIInChI=1S/C14H12ClFN2O2/c1-2-20-12-6-5-9(8-11(12)16)18-14(19)10-4-3-7-17-13(10)15/h3-8H,2H2,1H3,(H,18,19)
InChIKeyNQSVCYDWAWAFJH-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.53
Rot. Bonds4

About 2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide

2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 115588705) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide
PubChem CID115588705
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccnc2Cl)cc1F
InChIInChI=1S/C14H12ClFN2O2/c1-2-20-12-6-5-9(8-11(12)16)18-14(19)10-4-3-7-17-13(10)15/h3-8H,2H2,1H3,(H,18,19)
InChIKeyNQSVCYDWAWAFJH-UHFFFAOYSA-N
XLogP3.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.53
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-ethoxy-3-fluorophenyl)-2-hydroxybenzamide
CID 47314298
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 60637342
2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 61072257
N-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 115678718
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 26901535
2-amino-N-(3-fluoro-4-methoxyphenyl)pyridine-3-carboxamide
CID 62156147
2-ethoxy-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 64782949
2-chloro-N-(3,4-diethoxyphenyl)-4,5-difluorobenzamide
CID 2569815
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 96672740
N-(4-ethoxy-3-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87030954
2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide
CID 61041501

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide (CID 115588705) is 2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide is CCOc1ccc(NC(=O)c2cccnc2Cl)cc1F.
What is the InChIKey of 2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is NQSVCYDWAWAFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-2-20-12-6-5-9(8-11(12)16)18-14(19)10-4-3-7-17-13(10)15/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide?
2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 294.71 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 115588705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).