N-[(2-bromocyclopropyl)-hydroxymethyl]pyridine-3-carboxamide

C10H11BrN2O2 — CID 145337212

IUPACN-[(2-bromocyclopropyl)-hydroxymethyl]pyridine-3-carboxamide
SMILESO=C(NC(O)C1CC1Br)c1cccnc1
InChIInChI=1S/C10H11BrN2O2/c11-8-4-7(8)10(15)13-9(14)6-2-1-3-12-5-6/h1-3,5,7-8,10,15H,4H2,(H,13,14)
InChIKeyVXVGSRYFKMPNDU-UHFFFAOYSA-N
MW271.11 g/mol
LogP0.91
Rot. Bonds3

About N-[(2-bromocyclopropyl)-hydroxymethyl]pyridine-3-carboxamide

N-[(2-bromocyclopropyl)-hydroxymethyl]pyridine-3-carboxamide (PubChem CID 145337212) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is N-[(2-bromocyclopropyl)-hydroxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-bromocyclopropyl)-hydroxymethyl]pyridine-3-carboxamide
PubChem CID145337212
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC NameN-[(2-bromocyclopropyl)-hydroxymethyl]pyridine-3-carboxamide
SMILESO=C(NC(O)C1CC1Br)c1cccnc1
InChIInChI=1S/C10H11BrN2O2/c11-8-4-7(8)10(15)13-9(14)6-2-1-3-12-5-6/h1-3,5,7-8,10,15H,4H2,(H,13,14)
InChIKeyVXVGSRYFKMPNDU-UHFFFAOYSA-N
XLogP0.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-3-carboxamide
CID 124749087
(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid
CID 843815
N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 54216769
N-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide
CID 141444032
N-(2-amino-1-cyclopentylethyl)pyridine-3-carboxamide
CID 106737538
N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide
CID 3039041
N-methylpyridine-3-carboxamide chloride
CID 20976730
N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide
CID 103751046
N-(2-bromo-1-phenylethyl)pyridine-3-carboxamide
CID 113274720
N-(2-amino-5-bromocyclohexyl)pyridine-3-carboxamide
CID 142751130
N-cyclopentylpyridine-3-carboxamide
CID 805532
3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride
CID 52993255

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopropyl)-hydroxymethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2-bromocyclopropyl)-hydroxymethyl]pyridine-3-carboxamide (CID 145337212) is N-[(2-bromocyclopropyl)-hydroxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-bromocyclopropyl)-hydroxymethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-bromocyclopropyl)-hydroxymethyl]pyridine-3-carboxamide is O=C(NC(O)C1CC1Br)c1cccnc1.
What is the InChIKey of N-[(2-bromocyclopropyl)-hydroxymethyl]pyridine-3-carboxamide?
The InChIKey is VXVGSRYFKMPNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-8-4-7(8)10(15)13-9(14)6-2-1-3-12-5-6/h1-3,5,7-8,10,15H,4H2,(H,13,14).
What are the key properties of N-[(2-bromocyclopropyl)-hydroxymethyl]pyridine-3-carboxamide?
N-[(2-bromocyclopropyl)-hydroxymethyl]pyridine-3-carboxamide has a molecular weight of 271.11 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclopropyl)-hydroxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 145337212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).