6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide

C11H13FN2O2 — CID 109389046

IUPAC6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(O)CCC1)c1cccc(F)n1
InChIInChI=1S/C11H13FN2O2/c12-9-4-1-3-8(14-9)10(15)13-7-11(16)5-2-6-11/h1,3-4,16H,2,5-7H2,(H,13,15)
InChIKeyQLPPQIYFRZDPEW-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.87
Rot. Bonds3

About 6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide

6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide (PubChem CID 109389046) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is 6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide
PubChem CID109389046
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(O)CCC1)c1cccc(F)n1
InChIInChI=1S/C11H13FN2O2/c12-9-4-1-3-8(14-9)10(15)13-7-11(16)5-2-6-11/h1,3-4,16H,2,5-7H2,(H,13,15)
InChIKeyQLPPQIYFRZDPEW-UHFFFAOYSA-N
XLogP0.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.87
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-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 113323631
2-[1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 115496519
1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115496541
N-[(1-hydroxycyclobutyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 111539645
6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 113342974
1-[[(6-fluoro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 65108918
N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide
CID 115496783
6-fluoro-N-pent-3-ynylpyridine-2-carboxamide
CID 104581025
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
N-[(1-hydroxycyclobutyl)methyl]-1,2-oxazole-3-carboxamide
CID 115643434
6-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-2-carboxamide
CID 115497967
6-fluoro-N-hex-5-ynylpyridine-2-carboxamide
CID 103873748

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide (CID 109389046) is 6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide is O=C(NCC1(O)CCC1)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide?
The InChIKey is QLPPQIYFRZDPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-9-4-1-3-8(14-9)10(15)13-7-11(16)5-2-6-11/h1,3-4,16H,2,5-7H2,(H,13,15).
What are the key properties of 6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide?
6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide has a molecular weight of 224.23 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109389046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).