N-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine

C9H10Cl2F2N2 — CID 106993934

IUPACN-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine
SMILESCN(Cc1ccc(Cl)nc1Cl)CC(F)F
InChIInChI=1S/C9H10Cl2F2N2/c1-15(5-8(12)13)4-6-2-3-7(10)14-9(6)11/h2-3,8H,4-5H2,1H3
InChIKeyDFLJKVHGNALURQ-UHFFFAOYSA-N
MW255.09 g/mol
LogP3.09
Rot. Bonds4

About N-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine

N-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine (PubChem CID 106993934) has the molecular formula C9H10Cl2F2N2 and a molecular weight of 255.09 g/mol. Its IUPAC name is N-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine
PubChem CID106993934
Molecular FormulaC9H10Cl2F2N2
Molecular Weight255.09 g/mol
Exact Mass254.02
IUPAC NameN-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine
SMILESCN(Cc1ccc(Cl)nc1Cl)CC(F)F
InChIInChI=1S/C9H10Cl2F2N2/c1-15(5-8(12)13)4-6-2-3-7(10)14-9(6)11/h2-3,8H,4-5H2,1H3
InChIKeyDFLJKVHGNALURQ-UHFFFAOYSA-N
XLogP3.09
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.09
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylpropan-1-amine
CID 106993491
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylpropan-2-amine
CID 106993484
2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 106993926
1-(3-chlorophenyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 106993559
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 106993912
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine
CID 102663097
N-[(2-chloro-4-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine
CID 115611804
2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol
CID 115624862
N-(cyclopropylmethyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]propan-2-amine
CID 106993654
N-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide
CID 106993665
3-[(2,6-dichloro-3-pyridinyl)methyl-propan-2-ylamino]propan-1-ol
CID 106993640
2-[(2,6-dichloro-3-pyridinyl)methyl-pentan-3-ylamino]ethanol
CID 106993642

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine?
The IUPAC name of N-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine (CID 106993934) is N-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for N-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine?
The canonical SMILES for N-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine is CN(Cc1ccc(Cl)nc1Cl)CC(F)F.
What is the InChIKey of N-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine?
The InChIKey is DFLJKVHGNALURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2F2N2/c1-15(5-8(12)13)4-6-2-3-7(10)14-9(6)11/h2-3,8H,4-5H2,1H3.
What are the key properties of N-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine?
N-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine has a molecular weight of 255.09 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 106993934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).