N-[(2-chloro-4-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine

C9H11ClF2N2 — CID 115611804

IUPACN-[(2-chloro-4-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine
SMILESCN(Cc1ccnc(Cl)c1)CC(F)F
InChIInChI=1S/C9H11ClF2N2/c1-14(6-9(11)12)5-7-2-3-13-8(10)4-7/h2-4,9H,5-6H2,1H3
InChIKeyDNMHQQRGLPFMRL-UHFFFAOYSA-N
MW220.65 g/mol
LogP2.43
Rot. Bonds4

About N-[(2-chloro-4-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine

N-[(2-chloro-4-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine (PubChem CID 115611804) has the molecular formula C9H11ClF2N2 and a molecular weight of 220.65 g/mol. Its IUPAC name is N-[(2-chloro-4-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine
PubChem CID115611804
Molecular FormulaC9H11ClF2N2
Molecular Weight220.65 g/mol
Exact Mass220.06
IUPAC NameN-[(2-chloro-4-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine
SMILESCN(Cc1ccnc(Cl)c1)CC(F)F
InChIInChI=1S/C9H11ClF2N2/c1-14(6-9(11)12)5-7-2-3-13-8(10)4-7/h2-4,9H,5-6H2,1H3
InChIKeyDNMHQQRGLPFMRL-UHFFFAOYSA-N
XLogP2.43
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.65
LogP ≤ 52.43
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-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62472378
N-[(2-chloro-4-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 62045515
N-[(2-chloro-4-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79484205
methyl 4-[(2-chloro-4-pyridinyl)methyl-methylamino]butanoate
CID 62472398
2-chloro-4-(fluoromethyl)pyridine
CID 105428891
3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline
CID 60923207
N-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine
CID 62301725
2-[(2-chloro-4-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62470919
N-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine
CID 106993934
N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 62470558
N-[(2-chloro-4-pyridinyl)methyl]-N-ethyl-2-methylpropan-2-amine
CID 118531495
2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine
CID 115883847

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine?
The IUPAC name of N-[(2-chloro-4-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine (CID 115611804) is N-[(2-chloro-4-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for N-[(2-chloro-4-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine?
The canonical SMILES for N-[(2-chloro-4-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine is CN(Cc1ccnc(Cl)c1)CC(F)F.
What is the InChIKey of N-[(2-chloro-4-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine?
The InChIKey is DNMHQQRGLPFMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF2N2/c1-14(6-9(11)12)5-7-2-3-13-8(10)4-7/h2-4,9H,5-6H2,1H3.
What are the key properties of N-[(2-chloro-4-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine?
N-[(2-chloro-4-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine has a molecular weight of 220.65 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 115611804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).