N-butyl-3,5-dichloropyridin-4-amine

C9H12Cl2N2 — CID 119088250

IUPACN-butyl-3,5-dichloropyridin-4-amine
SMILESCCCCNc1c(Cl)cncc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-2-3-4-13-9-7(10)5-12-6-8(9)11/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyFLTCKXJBQWJRMK-UHFFFAOYSA-N
MW219.12 g/mol
LogP3.60
Rot. Bonds4

About N-butyl-3,5-dichloropyridin-4-amine

N-butyl-3,5-dichloropyridin-4-amine (PubChem CID 119088250) has the molecular formula C9H12Cl2N2 and a molecular weight of 219.12 g/mol. Its IUPAC name is N-butyl-3,5-dichloropyridin-4-amine.

Molecular Properties

Compound NameN-butyl-3,5-dichloropyridin-4-amine
PubChem CID119088250
Molecular FormulaC9H12Cl2N2
Molecular Weight219.12 g/mol
Exact Mass218.04
IUPAC NameN-butyl-3,5-dichloropyridin-4-amine
SMILESCCCCNc1c(Cl)cncc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-2-3-4-13-9-7(10)5-12-6-8(9)11/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyFLTCKXJBQWJRMK-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-ethylpyridin-4-amine;propane
CID 171793312
4-bromo-2,6-dichloro-N-pentylaniline
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4-(butylamino)-5-chloro-2-prop-2-ynylpyridazin-3-one
CID 114432159
N-butylpyrimidin-5-amine
CID 54172306
5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 104532629
4-(butylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432144
N-butyl-2-chloro-4-methylpyridin-3-amine
CID 65483347
N'-(3,5-dichloro-4-pyridinyl)decanehydrazide
CID 71617932
N-butyl-5-chloro-2,1,3-benzothiadiazol-4-amine
CID 65475994
6-chloro-N-propylpyrazin-2-amine
CID 26370207
N-butyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 139203727
4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-chloropyridine-3,4-diamine
CID 114285908

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,5-dichloropyridin-4-amine?
The IUPAC name of N-butyl-3,5-dichloropyridin-4-amine (CID 119088250) is N-butyl-3,5-dichloropyridin-4-amine.
What is the SMILES notation for N-butyl-3,5-dichloropyridin-4-amine?
The canonical SMILES for N-butyl-3,5-dichloropyridin-4-amine is CCCCNc1c(Cl)cncc1Cl.
What is the InChIKey of N-butyl-3,5-dichloropyridin-4-amine?
The InChIKey is FLTCKXJBQWJRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2/c1-2-3-4-13-9-7(10)5-12-6-8(9)11/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of N-butyl-3,5-dichloropyridin-4-amine?
N-butyl-3,5-dichloropyridin-4-amine has a molecular weight of 219.12 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,5-dichloropyridin-4-amine is sourced from PubChem (CID 119088250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).