2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile

C12H14ClN3O — CID 83076259

IUPAC2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NCC2(O)CCCC2)c1
InChIInChI=1S/C12H14ClN3O/c13-10-5-9(7-14)6-11(16-10)15-8-12(17)3-1-2-4-12/h5-6,17H,1-4,8H2,(H,15,16)
InChIKeyTYUWMNCLLBFZSW-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.32
Rot. Bonds3

About 2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile

2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile (PubChem CID 83076259) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
PubChem CID83076259
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NCC2(O)CCCC2)c1
InChIInChI=1S/C12H14ClN3O/c13-10-5-9(7-14)6-11(16-10)15-8-12(17)3-1-2-4-12/h5-6,17H,1-4,8H2,(H,15,16)
InChIKeyTYUWMNCLLBFZSW-UHFFFAOYSA-N
XLogP2.32
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile (CID 83076259) is 2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile is N#Cc1cc(Cl)nc(NCC2(O)CCCC2)c1.
What is the InChIKey of 2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile?
The InChIKey is TYUWMNCLLBFZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c13-10-5-9(7-14)6-11(16-10)15-8-12(17)3-1-2-4-12/h5-6,17H,1-4,8H2,(H,15,16).
What are the key properties of 2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile?
2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile has a molecular weight of 251.72 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 83076259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).