6-bromo-N-[(3R,4R)-3-fluoropiperidin-4-yl]pyridine-2-carboxamide

C11H13BrFN3O — CID 162526600

IUPAC6-bromo-N-[(3R,4R)-3-fluoropiperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCNC[C@H]1F)c1cccc(Br)n1
InChIInChI=1S/C11H13BrFN3O/c12-10-3-1-2-9(15-10)11(17)16-8-4-5-14-6-7(8)13/h1-3,7-8,14H,4-6H2,(H,16,17)/t7-,8-/m1/s1
InChIKeyOFOKKVJICPHPQZ-HTQZYQBOSA-N
MW302.15 g/mol
LogP1.27
Rot. Bonds2

About 6-bromo-N-[(3R,4R)-3-fluoropiperidin-4-yl]pyridine-2-carboxamide

6-bromo-N-[(3R,4R)-3-fluoropiperidin-4-yl]pyridine-2-carboxamide (PubChem CID 162526600) has the molecular formula C11H13BrFN3O and a molecular weight of 302.15 g/mol. Its IUPAC name is 6-bromo-N-[(3R,4R)-3-fluoropiperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(3R,4R)-3-fluoropiperidin-4-yl]pyridine-2-carboxamide
PubChem CID162526600
Molecular FormulaC11H13BrFN3O
Molecular Weight302.15 g/mol
Exact Mass301.02
IUPAC Name6-bromo-N-[(3R,4R)-3-fluoropiperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCNC[C@H]1F)c1cccc(Br)n1
InChIInChI=1S/C11H13BrFN3O/c12-10-3-1-2-9(15-10)11(17)16-8-4-5-14-6-7(8)13/h1-3,7-8,14H,4-6H2,(H,16,17)/t7-,8-/m1/s1
InChIKeyOFOKKVJICPHPQZ-HTQZYQBOSA-N
XLogP1.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(2-phenylethyl)pyridine-2-carboxamide
CID 6095594
5-Bromo-N-methylpyridine-2-carboxamide
CID 22831620
6-Bromopyridine-2-carboxamide
CID 21961408
N-benzyl-6-bromopyridine-2-carboxamide
CID 6095612
3-amino-6-bromo-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 166631533
4,5-dibromo-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 2766275
[3-(3,4-Difluoroanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 24818894
5-bromo-N-(oxan-4-yl)pyridine-2-carboxamide
CID 62954380
1-(Pyridine-2-carbonyl)piperazine
CID 181639
5-Bromo-2-(piperidin-1-ylcarbonyl)pyridine
CID 26370112
N-(piperidin-4-yl)pyridine-2-carboxamide dihydrochloride
CID 42941945
4-(6-Bromopyridine-2-carbonyl)morpholine
CID 59723638

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3R,4R)-3-fluoropiperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[(3R,4R)-3-fluoropiperidin-4-yl]pyridine-2-carboxamide (CID 162526600) is 6-bromo-N-[(3R,4R)-3-fluoropiperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(3R,4R)-3-fluoropiperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(3R,4R)-3-fluoropiperidin-4-yl]pyridine-2-carboxamide is O=C(N[C@@H]1CCNC[C@H]1F)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[(3R,4R)-3-fluoropiperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is OFOKKVJICPHPQZ-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H13BrFN3O/c12-10-3-1-2-9(15-10)11(17)16-8-4-5-14-6-7(8)13/h1-3,7-8,14H,4-6H2,(H,16,17)/t7-,8-/m1/s1.
What are the key properties of 6-bromo-N-[(3R,4R)-3-fluoropiperidin-4-yl]pyridine-2-carboxamide?
6-bromo-N-[(3R,4R)-3-fluoropiperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 302.15 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(3R,4R)-3-fluoropiperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 162526600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).