5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide

C12H14BrClN2O3 — CID 107301534

IUPAC5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide
SMILESCC1OCCC1(O)CNC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H14BrClN2O3/c1-7-12(18,2-3-19-7)6-16-11(17)9-4-8(13)5-15-10(9)14/h4-5,7,18H,2-3,6H2,1H3,(H,16,17)
InChIKeyYGDWOMCENNHCAC-UHFFFAOYSA-N
MW349.61 g/mol
LogP1.77
Rot. Bonds3

About 5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide

5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 107301534) has the molecular formula C12H14BrClN2O3 and a molecular weight of 349.61 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide
PubChem CID107301534
Molecular FormulaC12H14BrClN2O3
Molecular Weight349.61 g/mol
Exact Mass347.99
IUPAC Name5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide
SMILESCC1OCCC1(O)CNC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H14BrClN2O3/c1-7-12(18,2-3-19-7)6-16-11(17)9-4-8(13)5-15-10(9)14/h4-5,7,18H,2-3,6H2,1H3,(H,16,17)
InChIKeyYGDWOMCENNHCAC-UHFFFAOYSA-N
XLogP1.77
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.61
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 103722174
5-bromo-2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 65118505
5-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzamide
CID 107302287
2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107302139
3,4,5-trichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-2-carboxamide
CID 107302208
3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107302216
3-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylbenzamide
CID 107302290
2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301456
4-amino-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 106099080
5-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 106100363
4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methoxybenzamide
CID 107301442
4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 107301756

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide (CID 107301534) is 5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide is CC1OCCC1(O)CNC(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is YGDWOMCENNHCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O3/c1-7-12(18,2-3-19-7)6-16-11(17)9-4-8(13)5-15-10(9)14/h4-5,7,18H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide?
5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 349.61 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 107301534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).