4-(6-chloro-3-pyridinyl)butane-1,3-diamine

C9H14ClN3 — CID 18365460

IUPAC4-(6-chloro-3-pyridinyl)butane-1,3-diamine
SMILESNCCC(N)Cc1ccc(Cl)nc1
InChIInChI=1S/C9H14ClN3/c10-9-2-1-7(6-13-9)5-8(12)3-4-11/h1-2,6,8H,3-5,11-12H2
InChIKeyDPJNFBDJILCEQZ-UHFFFAOYSA-N
MW199.69 g/mol
LogP0.95
Rot. Bonds4

About 4-(6-chloro-3-pyridinyl)butane-1,3-diamine

4-(6-chloro-3-pyridinyl)butane-1,3-diamine (PubChem CID 18365460) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is 4-(6-chloro-3-pyridinyl)butane-1,3-diamine.

Molecular Properties

Compound Name4-(6-chloro-3-pyridinyl)butane-1,3-diamine
PubChem CID18365460
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC Name4-(6-chloro-3-pyridinyl)butane-1,3-diamine
SMILESNCCC(N)Cc1ccc(Cl)nc1
InChIInChI=1S/C9H14ClN3/c10-9-2-1-7(6-13-9)5-8(12)3-4-11/h1-2,6,8H,3-5,11-12H2
InChIKeyDPJNFBDJILCEQZ-UHFFFAOYSA-N
XLogP0.95
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 50.95
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

1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine
CID 18365459
2-amino-3-(6-chloro-3-pyridinyl)propan-1-ol;hydrochloride
CID 170892799
4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid
CID 104680894
3-(6-chloro-3-pyridinyl)propan-1-amine
CID 55266359
2-chloro-5-[(2S)-2-methylbutyl]pyridine
CID 56840075
(1S)-1-(6-chloro-3-pyridinyl)butane-1,4-diamine
CID 171218298
dimethyl 2-[(6-chloro-3-pyridinyl)methyl]propanedioate
CID 103972363
N-[2-(6-chloro-3-pyridinyl)ethyl]methanimine
CID 174856030
4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol
CID 171880722
2-chloro-5-(iodomethyl)pyridine
CID 11149463
2,6-diamino-N-[(6-chloro-3-pyridinyl)methyl]hexanamide
CID 90860772
N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride
CID 86584506

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-3-pyridinyl)butane-1,3-diamine?
The IUPAC name of 4-(6-chloro-3-pyridinyl)butane-1,3-diamine (CID 18365460) is 4-(6-chloro-3-pyridinyl)butane-1,3-diamine.
What is the SMILES notation for 4-(6-chloro-3-pyridinyl)butane-1,3-diamine?
The canonical SMILES for 4-(6-chloro-3-pyridinyl)butane-1,3-diamine is NCCC(N)Cc1ccc(Cl)nc1.
What is the InChIKey of 4-(6-chloro-3-pyridinyl)butane-1,3-diamine?
The InChIKey is DPJNFBDJILCEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c10-9-2-1-7(6-13-9)5-8(12)3-4-11/h1-2,6,8H,3-5,11-12H2.
What are the key properties of 4-(6-chloro-3-pyridinyl)butane-1,3-diamine?
4-(6-chloro-3-pyridinyl)butane-1,3-diamine has a molecular weight of 199.69 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-3-pyridinyl)butane-1,3-diamine is sourced from PubChem (CID 18365460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).