3-(1,1-difluoroethyl)-5-ethanimidoyl-2-methylpyridin-4-amine

C10H13F2N3 — CID 144598713

IUPAC3-(1,1-difluoroethyl)-5-ethanimidoyl-2-methylpyridin-4-amine
SMILES[H]/N=C(\C)c1cnc(C)c(C(C)(F)F)c1N
InChIInChI=1S/C10H13F2N3/c1-5(13)7-4-15-6(2)8(9(7)14)10(3,11)12/h4,13H,1-3H3,(H2,14,15)/b13-5+
InChIKeyLLSKCJAUCZJRDC-WLRTZDKTSA-N
MW213.23 g/mol
LogP2.47
Rot. Bonds2

About 3-(1,1-difluoroethyl)-5-ethanimidoyl-2-methylpyridin-4-amine

3-(1,1-difluoroethyl)-5-ethanimidoyl-2-methylpyridin-4-amine (PubChem CID 144598713) has the molecular formula C10H13F2N3 and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5-ethanimidoyl-2-methylpyridin-4-amine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-5-ethanimidoyl-2-methylpyridin-4-amine
PubChem CID144598713
Molecular FormulaC10H13F2N3
Molecular Weight213.23 g/mol
Exact Mass213.11
IUPAC Name3-(1,1-difluoroethyl)-5-ethanimidoyl-2-methylpyridin-4-amine
SMILES[H]/N=C(\C)c1cnc(C)c(C(C)(F)F)c1N
InChIInChI=1S/C10H13F2N3/c1-5(13)7-4-15-6(2)8(9(7)14)10(3,11)12/h4,13H,1-3H3,(H2,14,15)/b13-5+
InChIKeyLLSKCJAUCZJRDC-WLRTZDKTSA-N
XLogP2.47
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-Ethyl-2-methylpyridine
CID 7728
3-Methyl-4-pyridinamine
CID 74811
2-Phenylpyridin-4-amine
CID 2762833
4-(Aminomethyl)-2-(trifluoromethyl)pyridine
CID 55265285
(2-(Trifluoromethyl)pyridin-4-yl)methanamine hydrochloride
CID 70700688
2,3,5-Trimethylpyridine
CID 12759
2-Methyl-5-isopropenylpyridine
CID 91998
N-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
CID 156612915
5-Ethyl-2-vinylpyridine
CID 222462
3,5-Dimethylpyridin-4-amine
CID 12235083
4-Methyl-2-(2,2,2-trifluoro-1,1-dimethylethyl)pyridine
CID 57748126
2,5-Dimethylpyridin-4-amine
CID 4175799

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5-ethanimidoyl-2-methylpyridin-4-amine?
The IUPAC name of 3-(1,1-difluoroethyl)-5-ethanimidoyl-2-methylpyridin-4-amine (CID 144598713) is 3-(1,1-difluoroethyl)-5-ethanimidoyl-2-methylpyridin-4-amine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-5-ethanimidoyl-2-methylpyridin-4-amine?
The canonical SMILES for 3-(1,1-difluoroethyl)-5-ethanimidoyl-2-methylpyridin-4-amine is [H]/N=C(\C)c1cnc(C)c(C(C)(F)F)c1N.
What is the InChIKey of 3-(1,1-difluoroethyl)-5-ethanimidoyl-2-methylpyridin-4-amine?
The InChIKey is LLSKCJAUCZJRDC-WLRTZDKTSA-N. The full InChI is InChI=1S/C10H13F2N3/c1-5(13)7-4-15-6(2)8(9(7)14)10(3,11)12/h4,13H,1-3H3,(H2,14,15)/b13-5+.
What are the key properties of 3-(1,1-difluoroethyl)-5-ethanimidoyl-2-methylpyridin-4-amine?
3-(1,1-difluoroethyl)-5-ethanimidoyl-2-methylpyridin-4-amine has a molecular weight of 213.23 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-5-ethanimidoyl-2-methylpyridin-4-amine is sourced from PubChem (CID 144598713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).