2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide

C15H22ClFN2O — CID 103893182

IUPAC2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide
SMILESCC(C)CCCCCCNC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C15H22ClFN2O/c1-11(2)7-5-3-4-6-8-18-15(20)13-9-12(17)10-19-14(13)16/h9-11H,3-8H2,1-2H3,(H,18,20)
InChIKeyUTCPPYFVQXAMMN-UHFFFAOYSA-N
MW300.81 g/mol
LogP4.21
Rot. Bonds8

About 2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide

2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide (PubChem CID 103893182) has the molecular formula C15H22ClFN2O and a molecular weight of 300.81 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide
PubChem CID103893182
Molecular FormulaC15H22ClFN2O
Molecular Weight300.81 g/mol
Exact Mass300.14
IUPAC Name2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide
SMILESCC(C)CCCCCCNC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C15H22ClFN2O/c1-11(2)7-5-3-4-6-8-18-15(20)13-9-12(17)10-19-14(13)16/h9-11H,3-8H2,1-2H3,(H,18,20)
InChIKeyUTCPPYFVQXAMMN-UHFFFAOYSA-N
XLogP4.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 114034196
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 103891263
2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide
CID 103892256
2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 105380997
2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 103892342
2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 113347114
3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 66481997
2-amino-4-fluoro-N-(7-methyloctyl)benzamide
CID 62075011
2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 103687935
6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 79003057
3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818020

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide (CID 103893182) is 2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide is CC(C)CCCCCCNC(=O)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide?
The InChIKey is UTCPPYFVQXAMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2O/c1-11(2)7-5-3-4-6-8-18-15(20)13-9-12(17)10-19-14(13)16/h9-11H,3-8H2,1-2H3,(H,18,20).
What are the key properties of 2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide?
2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide has a molecular weight of 300.81 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide is sourced from PubChem (CID 103893182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).