3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine

C10H11Cl2F3N2O — CID 106181945

IUPAC3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCOCC(CCl)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H11Cl2F3N2O/c1-18-5-7(3-11)17-9-8(12)2-6(4-16-9)10(13,14)15/h2,4,7H,3,5H2,1H3,(H,16,17)
InChIKeyKANQPIIBNBKZLO-UHFFFAOYSA-N
MW303.11 g/mol
LogP3.42
Rot. Bonds5

About 3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 106181945) has the molecular formula C10H11Cl2F3N2O and a molecular weight of 303.11 g/mol. Its IUPAC name is 3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID106181945
Molecular FormulaC10H11Cl2F3N2O
Molecular Weight303.11 g/mol
Exact Mass302.02
IUPAC Name3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCOCC(CCl)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H11Cl2F3N2O/c1-18-5-7(3-11)17-9-8(12)2-6(4-16-9)10(13,14)15/h2,4,7H,3,5H2,1H3,(H,16,17)
InChIKeyKANQPIIBNBKZLO-UHFFFAOYSA-N
XLogP3.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43080874
3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63541959
2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpentane-1,2-diamine
CID 63759985
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 113240572
3-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 106354539
3-chloro-N-(3-ethylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63838693
3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 83180248
N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 114382946
3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60712371
5-chloro-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxypyrimidin-4-amine
CID 106181795
3-chloro-2-(2-chloro-3-methoxypropyl)-5-(trifluoromethyl)pyridine
CID 63205098
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 95341584

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine (CID 106181945) is 3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine is COCC(CCl)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KANQPIIBNBKZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2F3N2O/c1-18-5-7(3-11)17-9-8(12)2-6(4-16-9)10(13,14)15/h2,4,7H,3,5H2,1H3,(H,16,17).
What are the key properties of 3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 303.11 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106181945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).