3,5-dichloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine

C10H12Cl4N2 — CID 107867329

IUPAC3,5-dichloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine
SMILESCCC(CCl)(CCl)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl4N2/c1-2-10(5-11,6-12)16-9-8(14)3-7(13)4-15-9/h3-4H,2,5-6H2,1H3,(H,15,16)
InChIKeyAYBSEKLABJVPPQ-UHFFFAOYSA-N
MW302.03 g/mol
LogP4.43
Rot. Bonds5

About 3,5-dichloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine

3,5-dichloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine (PubChem CID 107867329) has the molecular formula C10H12Cl4N2 and a molecular weight of 302.03 g/mol. Its IUPAC name is 3,5-dichloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine
PubChem CID107867329
Molecular FormulaC10H12Cl4N2
Molecular Weight302.03 g/mol
Exact Mass299.98
IUPAC Name3,5-dichloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine
SMILESCCC(CCl)(CCl)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl4N2/c1-2-10(5-11,6-12)16-9-8(14)3-7(13)4-15-9/h3-4H,2,5-6H2,1H3,(H,15,16)
InChIKeyAYBSEKLABJVPPQ-UHFFFAOYSA-N
XLogP4.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.03
LogP ≤ 54.43
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

3,5-dichloro-N-(1-chloro-2-methylpropan-2-yl)pyridin-2-amine
CID 65027406
2-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-ethylbutan-1-ol
CID 114835868
N'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
CID 106251497
3,5-dichloro-N-propylpyridin-2-amine
CID 30058037
3,5-dichloro-N-(1-chlorobutan-2-yl)pyridin-2-amine
CID 65030297
3,5-dichloro-N-methylpyridin-2-amine;hydrochloride
CID 159350440
3,5-dichloro-N-cyclooctylpyridin-2-amine
CID 28517961
3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329478
5-bromo-3-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine
CID 103584161
N-[1-chloro-2-(chloromethyl)butan-2-yl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 114010801
(3,5-dichloro-2-pyridinyl)hydrazine;hydrate
CID 175331134
N-[1-chloro-2-(chloromethyl)butan-2-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 107867364

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine (CID 107867329) is 3,5-dichloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine is CCC(CCl)(CCl)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine?
The InChIKey is AYBSEKLABJVPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl4N2/c1-2-10(5-11,6-12)16-9-8(14)3-7(13)4-15-9/h3-4H,2,5-6H2,1H3,(H,15,16).
What are the key properties of 3,5-dichloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine?
3,5-dichloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine has a molecular weight of 302.03 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine is sourced from PubChem (CID 107867329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).