5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide

C12H14BrClN2O2 — CID 103774144

IUPAC5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
SMILESO=C(NC1CCCC1CO)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H14BrClN2O2/c13-8-4-9(11(14)15-5-8)12(18)16-10-3-1-2-7(10)6-17/h4-5,7,10,17H,1-3,6H2,(H,16,18)
InChIKeyJIHJOFROPCIDRU-UHFFFAOYSA-N
MW333.61 g/mol
LogP2.39
Rot. Bonds3

About 5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide

5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide (PubChem CID 103774144) has the molecular formula C12H14BrClN2O2 and a molecular weight of 333.61 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
PubChem CID103774144
Molecular FormulaC12H14BrClN2O2
Molecular Weight333.61 g/mol
Exact Mass331.99
IUPAC Name5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
SMILESO=C(NC1CCCC1CO)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H14BrClN2O2/c13-8-4-9(11(14)15-5-8)12(18)16-10-3-1-2-7(10)6-17/h4-5,7,10,17H,1-3,6H2,(H,16,18)
InChIKeyJIHJOFROPCIDRU-UHFFFAOYSA-N
XLogP2.39
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.61
LogP ≤ 52.39
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

5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide
CID 94415434
5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
CID 103774208
3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103909256
5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102795231
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103773984
2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide
CID 114179839
4-chloro-2,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103873963
2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide
CID 103860531
4-bromo-N-[2-(hydroxymethyl)cyclopentyl]-1H-pyrrole-2-carboxamide
CID 103774215
5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 62001027
5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide
CID 106360530

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide (CID 103774144) is 5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide is O=C(NC1CCCC1CO)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide?
The InChIKey is JIHJOFROPCIDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O2/c13-8-4-9(11(14)15-5-8)12(18)16-10-3-1-2-7(10)6-17/h4-5,7,10,17H,1-3,6H2,(H,16,18).
What are the key properties of 5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide?
5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide has a molecular weight of 333.61 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 103774144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).