3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine

C11H12ClF3N2 — CID 113248032

IUPAC3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCC1CC(Nc2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C11H12ClF3N2/c1-6-2-8(3-6)17-10-9(12)4-7(5-16-10)11(13,14)15/h4-6,8H,2-3H2,1H3,(H,16,17)
InChIKeyYKWVZGWAKDBUQW-UHFFFAOYSA-N
MW264.68 g/mol
LogP3.96
Rot. Bonds2

About 3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 113248032) has the molecular formula C11H12ClF3N2 and a molecular weight of 264.68 g/mol. Its IUPAC name is 3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID113248032
Molecular FormulaC11H12ClF3N2
Molecular Weight264.68 g/mol
Exact Mass264.06
IUPAC Name3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCC1CC(Nc2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C11H12ClF3N2/c1-6-2-8(3-6)17-10-9(12)4-7(5-16-10)11(13,14)15/h4-6,8H,2-3H2,1H3,(H,16,17)
InChIKeyYKWVZGWAKDBUQW-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.68
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2-methylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 43081784
3-chloro-N-(1-oxothian-4-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 115886614
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 28548311
3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 47054431
(4S)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-propan-2-ylpyrrolidin-2-one
CID 52515382
cis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine
CID 93453945
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-cyclopropylpyrrolidin-2-one
CID 133357415
5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine
CID 105369616
3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133336273
5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine
CID 79727237
3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60712371
N-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97030726

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine (CID 113248032) is 3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine is CC1CC(Nc2ncc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of 3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YKWVZGWAKDBUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2/c1-6-2-8(3-6)17-10-9(12)4-7(5-16-10)11(13,14)15/h4-6,8H,2-3H2,1H3,(H,16,17).
What are the key properties of 3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 264.68 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 113248032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).