4-chloro-3-pyridin-2-ylbutan-1-amine

C9H13ClN2 — CID 152778918

IUPAC4-chloro-3-pyridin-2-ylbutan-1-amine
SMILESNCCC(CCl)c1ccccn1
InChIInChI=1S/C9H13ClN2/c10-7-8(4-5-11)9-3-1-2-6-12-9/h1-3,6,8H,4-5,7,11H2
InChIKeyFWUYVQOWSGYSOW-UHFFFAOYSA-N
MW184.67 g/mol
LogP1.75
Rot. Bonds4

About 4-chloro-3-pyridin-2-ylbutan-1-amine

4-chloro-3-pyridin-2-ylbutan-1-amine (PubChem CID 152778918) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 4-chloro-3-pyridin-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-chloro-3-pyridin-2-ylbutan-1-amine
PubChem CID152778918
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name4-chloro-3-pyridin-2-ylbutan-1-amine
SMILESNCCC(CCl)c1ccccn1
InChIInChI=1S/C9H13ClN2/c10-7-8(4-5-11)9-3-1-2-6-12-9/h1-3,6,8H,4-5,7,11H2
InChIKeyFWUYVQOWSGYSOW-UHFFFAOYSA-N
XLogP1.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dichloropropan-2-yl)pyridine
CID 14046520
5-(3-fluorophenyl)-3-pyridin-2-ylpentan-1-amine
CID 112516639
4-amino-1-pyridin-2-ylbutane-1,2-diol
CID 171880668
2-chloro-1-pyridin-2-ylethanol
CID 22145518
ethane;2-pentan-3-ylpyridine
CID 142883968
chloro(pyridin-2-yl)methanamine
CID 22075524
4-methyl-2-pyridin-2-ylheptan-1-amine
CID 54593230
(2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine
CID 95241708
2-pyridin-2-ylpropan-1-amine
CID 21481533
2-tridecan-6-ylpyridine
CID 139295924
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
3-(4-bromophenyl)-2-pyridin-2-ylpropan-1-amine
CID 82094286

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-pyridin-2-ylbutan-1-amine?
The IUPAC name of 4-chloro-3-pyridin-2-ylbutan-1-amine (CID 152778918) is 4-chloro-3-pyridin-2-ylbutan-1-amine.
What is the SMILES notation for 4-chloro-3-pyridin-2-ylbutan-1-amine?
The canonical SMILES for 4-chloro-3-pyridin-2-ylbutan-1-amine is NCCC(CCl)c1ccccn1.
What is the InChIKey of 4-chloro-3-pyridin-2-ylbutan-1-amine?
The InChIKey is FWUYVQOWSGYSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c10-7-8(4-5-11)9-3-1-2-6-12-9/h1-3,6,8H,4-5,7,11H2.
What are the key properties of 4-chloro-3-pyridin-2-ylbutan-1-amine?
4-chloro-3-pyridin-2-ylbutan-1-amine has a molecular weight of 184.67 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-pyridin-2-ylbutan-1-amine is sourced from PubChem (CID 152778918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).