2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide

C17H10Cl2F2N2OS — CID 51135593

IUPAC2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)c1cccs1)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C17H10Cl2F2N2OS/c18-15-11(8-12(21)16(19)23-15)17(24)22-14(13-2-1-7-25-13)9-3-5-10(20)6-4-9/h1-8,14H,(H,22,24)
InChIKeyLQKGSYUWHLDYPP-UHFFFAOYSA-N
MW399.25 g/mol
LogP5.25
Rot. Bonds4

About 2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide

2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide (PubChem CID 51135593) has the molecular formula C17H10Cl2F2N2OS and a molecular weight of 399.25 g/mol. Its IUPAC name is 2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
PubChem CID51135593
Molecular FormulaC17H10Cl2F2N2OS
Molecular Weight399.25 g/mol
Exact Mass397.99
IUPAC Name2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)c1cccs1)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C17H10Cl2F2N2OS/c18-15-11(8-12(21)16(19)23-15)17(24)22-14(13-2-1-7-25-13)9-3-5-10(20)6-4-9/h1-8,14H,(H,22,24)
InChIKeyLQKGSYUWHLDYPP-UHFFFAOYSA-N
XLogP5.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.25
LogP ≤ 55.25
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

2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354
3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 95932121
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 25435351
3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 26193106
2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354884
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 46564820
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 99812951
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
CID 55798665
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 30890043
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 17455291

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide (CID 51135593) is 2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide is O=C(NC(c1ccc(F)cc1)c1cccs1)c1cc(F)c(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide?
The InChIKey is LQKGSYUWHLDYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2N2OS/c18-15-11(8-12(21)16(19)23-15)17(24)22-14(13-2-1-7-25-13)9-3-5-10(20)6-4-9/h1-8,14H,(H,22,24).
What are the key properties of 2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide?
2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide has a molecular weight of 399.25 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide is sourced from PubChem (CID 51135593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).