3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine

C9H11ClF2N2 — CID 103516735

IUPAC3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(Cc1ccncc1Cl)C(F)F
InChIInChI=1S/C9H11ClF2N2/c1-13-8(9(11)12)4-6-2-3-14-5-7(6)10/h2-3,5,8-9,13H,4H2,1H3
InChIKeyJUVUNCCZQIEJMY-UHFFFAOYSA-N
MW220.65 g/mol
LogP2.13
Rot. Bonds4

About 3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine

3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine (PubChem CID 103516735) has the molecular formula C9H11ClF2N2 and a molecular weight of 220.65 g/mol. Its IUPAC name is 3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine
PubChem CID103516735
Molecular FormulaC9H11ClF2N2
Molecular Weight220.65 g/mol
Exact Mass220.06
IUPAC Name3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(Cc1ccncc1Cl)C(F)F
InChIInChI=1S/C9H11ClF2N2/c1-13-8(9(11)12)4-6-2-3-14-5-7(6)10/h2-3,5,8-9,13H,4H2,1H3
InChIKeyJUVUNCCZQIEJMY-UHFFFAOYSA-N
XLogP2.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.65
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 103759818
2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 112655560
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 112655545
1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine
CID 105157330
4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 115984863
3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine
CID 112655896
2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105157425
1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 112655636
2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 112655632
3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-amine
CID 104845244
1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 112655591

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine?
The IUPAC name of 3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine (CID 103516735) is 3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine.
What is the SMILES notation for 3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine?
The canonical SMILES for 3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine is CNC(Cc1ccncc1Cl)C(F)F.
What is the InChIKey of 3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine?
The InChIKey is JUVUNCCZQIEJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF2N2/c1-13-8(9(11)12)4-6-2-3-14-5-7(6)10/h2-3,5,8-9,13H,4H2,1H3.
What are the key properties of 3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine?
3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine has a molecular weight of 220.65 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine is sourced from PubChem (CID 103516735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).