2-chloro-N-propan-2-ylpyridin-3-amine;2-chloropyridin-3-amine;propan-2-one

C16H22Cl2N4O — CID 158738770

IUPAC2-chloro-N-propan-2-ylpyridin-3-amine;2-chloropyridin-3-amine;propan-2-one
SMILESCC(C)=O.CC(C)Nc1cccnc1Cl.Nc1cccnc1Cl
InChIInChI=1S/C8H11ClN2.C5H5ClN2.C3H6O/c1-6(2)11-7-4-3-5-10-8(7)9;6-5-4(7)2-1-3-8-5;1-3(2)4/h3-6,11H,1-2H3;1-3H,7H2;1-2H3
InChIKeyIMACCOYPBHMMNX-UHFFFAOYSA-N
MW357.29 g/mol
LogP4.47
Rot. Bonds2

About 2-chloro-N-propan-2-ylpyridin-3-amine;2-chloropyridin-3-amine;propan-2-one

2-chloro-N-propan-2-ylpyridin-3-amine;2-chloropyridin-3-amine;propan-2-one (PubChem CID 158738770) has the molecular formula C16H22Cl2N4O and a molecular weight of 357.29 g/mol. Its IUPAC name is 2-chloro-N-propan-2-ylpyridin-3-amine;2-chloropyridin-3-amine;propan-2-one.

Molecular Properties

Compound Name2-chloro-N-propan-2-ylpyridin-3-amine;2-chloropyridin-3-amine;propan-2-one
PubChem CID158738770
Molecular FormulaC16H22Cl2N4O
Molecular Weight357.29 g/mol
Exact Mass356.12
IUPAC Name2-chloro-N-propan-2-ylpyridin-3-amine;2-chloropyridin-3-amine;propan-2-one
SMILESCC(C)=O.CC(C)Nc1cccnc1Cl.Nc1cccnc1Cl
InChIInChI=1S/C8H11ClN2.C5H5ClN2.C3H6O/c1-6(2)11-7-4-3-5-10-8(7)9;6-5-4(7)2-1-3-8-5;1-3(2)4/h3-6,11H,1-2H3;1-3H,7H2;1-2H3
InChIKeyIMACCOYPBHMMNX-UHFFFAOYSA-N
XLogP4.47
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-3-pyridinyl)amino]propanoic acid
CID 66174310
2-chloropyridin-3-amine;ethane
CID 91236082
3-[(2-chloro-3-pyridinyl)amino]-2-methylbutan-2-ol
CID 65338181
2-bromo-N-(2-chloro-3-pyridinyl)propanamide
CID 107903037
4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol
CID 43689985
2-chloro-N-(1-cyclopentylethyl)pyridin-3-amine
CID 62633166
silver;bis(2-chloropyridin-3-amine);perchlorate
CID 139065291
2-amino-N-(2-chloro-3-pyridinyl)-6-methoxybenzamide
CID 81421056
N-methyl-3-(propan-2-ylamino)pyridine-2-carboxamide
CID 176808648
2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43689899
N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 60853808
3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine
CID 104539778

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-ylpyridin-3-amine;2-chloropyridin-3-amine;propan-2-one?
The IUPAC name of 2-chloro-N-propan-2-ylpyridin-3-amine;2-chloropyridin-3-amine;propan-2-one (CID 158738770) is 2-chloro-N-propan-2-ylpyridin-3-amine;2-chloropyridin-3-amine;propan-2-one.
What is the SMILES notation for 2-chloro-N-propan-2-ylpyridin-3-amine;2-chloropyridin-3-amine;propan-2-one?
The canonical SMILES for 2-chloro-N-propan-2-ylpyridin-3-amine;2-chloropyridin-3-amine;propan-2-one is CC(C)=O.CC(C)Nc1cccnc1Cl.Nc1cccnc1Cl.
What is the InChIKey of 2-chloro-N-propan-2-ylpyridin-3-amine;2-chloropyridin-3-amine;propan-2-one?
The InChIKey is IMACCOYPBHMMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2.C5H5ClN2.C3H6O/c1-6(2)11-7-4-3-5-10-8(7)9;6-5-4(7)2-1-3-8-5;1-3(2)4/h3-6,11H,1-2H3;1-3H,7H2;1-2H3.
What are the key properties of 2-chloro-N-propan-2-ylpyridin-3-amine;2-chloropyridin-3-amine;propan-2-one?
2-chloro-N-propan-2-ylpyridin-3-amine;2-chloropyridin-3-amine;propan-2-one has a molecular weight of 357.29 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-ylpyridin-3-amine;2-chloropyridin-3-amine;propan-2-one is sourced from PubChem (CID 158738770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).