N-[(3-chlorocyclobutyl)methyl]-3,5-difluoro-N-methylpyridin-2-amine

C11H13ClF2N2 — CID 112676585

IUPACN-[(3-chlorocyclobutyl)methyl]-3,5-difluoro-N-methylpyridin-2-amine
SMILESCN(CC1CC(Cl)C1)c1ncc(F)cc1F
InChIInChI=1S/C11H13ClF2N2/c1-16(6-7-2-8(12)3-7)11-10(14)4-9(13)5-15-11/h4-5,7-8H,2-3,6H2,1H3
InChIKeyNFUXTNRRDFENGL-UHFFFAOYSA-N
MW246.69 g/mol
LogP2.81
Rot. Bonds3

About N-[(3-chlorocyclobutyl)methyl]-3,5-difluoro-N-methylpyridin-2-amine

N-[(3-chlorocyclobutyl)methyl]-3,5-difluoro-N-methylpyridin-2-amine (PubChem CID 112676585) has the molecular formula C11H13ClF2N2 and a molecular weight of 246.69 g/mol. Its IUPAC name is N-[(3-chlorocyclobutyl)methyl]-3,5-difluoro-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3-chlorocyclobutyl)methyl]-3,5-difluoro-N-methylpyridin-2-amine
PubChem CID112676585
Molecular FormulaC11H13ClF2N2
Molecular Weight246.69 g/mol
Exact Mass246.07
IUPAC NameN-[(3-chlorocyclobutyl)methyl]-3,5-difluoro-N-methylpyridin-2-amine
SMILESCN(CC1CC(Cl)C1)c1ncc(F)cc1F
InChIInChI=1S/C11H13ClF2N2/c1-16(6-7-2-8(12)3-7)11-10(14)4-9(13)5-15-11/h4-5,7-8H,2-3,6H2,1H3
InChIKeyNFUXTNRRDFENGL-UHFFFAOYSA-N
XLogP2.81
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(cyclopropylmethyl)-3-fluoro-N-methylpyridin-2-amine
CID 79727577
N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 112675382
5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 104924188
N-[(3-aminocyclobutyl)methyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 104606790
N-[(3-chlorocyclobutyl)methyl]-2-fluoro-N-methyl-4-(trifluoromethyl)aniline
CID 107304112
N'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 112676470
3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile
CID 112675422
3,5-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 112676220
ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate
CID 112676422
5-bromo-3-fluoro-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine
CID 129413890
5-bromo-3-fluoro-N-methyl-N-[[(3S)-oxan-3-yl]methyl]pyridin-2-amine
CID 129413889
N-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
CID 103584238

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclobutyl)methyl]-3,5-difluoro-N-methylpyridin-2-amine?
The IUPAC name of N-[(3-chlorocyclobutyl)methyl]-3,5-difluoro-N-methylpyridin-2-amine (CID 112676585) is N-[(3-chlorocyclobutyl)methyl]-3,5-difluoro-N-methylpyridin-2-amine.
What is the SMILES notation for N-[(3-chlorocyclobutyl)methyl]-3,5-difluoro-N-methylpyridin-2-amine?
The canonical SMILES for N-[(3-chlorocyclobutyl)methyl]-3,5-difluoro-N-methylpyridin-2-amine is CN(CC1CC(Cl)C1)c1ncc(F)cc1F.
What is the InChIKey of N-[(3-chlorocyclobutyl)methyl]-3,5-difluoro-N-methylpyridin-2-amine?
The InChIKey is NFUXTNRRDFENGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N2/c1-16(6-7-2-8(12)3-7)11-10(14)4-9(13)5-15-11/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of N-[(3-chlorocyclobutyl)methyl]-3,5-difluoro-N-methylpyridin-2-amine?
N-[(3-chlorocyclobutyl)methyl]-3,5-difluoro-N-methylpyridin-2-amine has a molecular weight of 246.69 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclobutyl)methyl]-3,5-difluoro-N-methylpyridin-2-amine is sourced from PubChem (CID 112676585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).