2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine

C13H11ClF2N2O — CID 80524115

IUPAC2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine
SMILESFC(F)Oc1ccc(CNc2ccnc(Cl)c2)cc1
InChIInChI=1S/C13H11ClF2N2O/c14-12-7-10(5-6-17-12)18-8-9-1-3-11(4-2-9)19-13(15)16/h1-7,13H,8H2,(H,17,18)
InChIKeyNAWQYDKBOHVULJ-UHFFFAOYSA-N
MW284.69 g/mol
LogP3.95
Rot. Bonds5

About 2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine

2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine (PubChem CID 80524115) has the molecular formula C13H11ClF2N2O and a molecular weight of 284.69 g/mol. Its IUPAC name is 2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine
PubChem CID80524115
Molecular FormulaC13H11ClF2N2O
Molecular Weight284.69 g/mol
Exact Mass284.05
IUPAC Name2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine
SMILESFC(F)Oc1ccc(CNc2ccnc(Cl)c2)cc1
InChIInChI=1S/C13H11ClF2N2O/c14-12-7-10(5-6-17-12)18-8-9-1-3-11(4-2-9)19-13(15)16/h1-7,13H,8H2,(H,17,18)
InChIKeyNAWQYDKBOHVULJ-UHFFFAOYSA-N
XLogP3.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 80523929
N-[[4-(difluoromethoxy)phenyl]methyl]-3-iodoaniline
CID 28977429
N-[(3-bromo-4-chlorophenyl)methyl]-4-(difluoromethoxy)aniline
CID 83235363
2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-iodoaniline
CID 43733617
2-chloro-N-[3-(4-methoxyphenyl)propyl]pyridin-4-amine
CID 133360019
3-chloro-4-(difluoromethoxy)-N-(pyridin-4-ylmethyl)aniline
CID 28622662
[4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol
CID 111466189
2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline
CID 81264495
2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine
CID 133374314
N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732620
2-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 75525064
N-[(3-chloro-4-fluorophenyl)methyl]-3-(difluoromethoxy)aniline
CID 81145113

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine (CID 80524115) is 2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine is FC(F)Oc1ccc(CNc2ccnc(Cl)c2)cc1.
What is the InChIKey of 2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine?
The InChIKey is NAWQYDKBOHVULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O/c14-12-7-10(5-6-17-12)18-8-9-1-3-11(4-2-9)19-13(15)16/h1-7,13H,8H2,(H,17,18).
What are the key properties of 2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine?
2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine has a molecular weight of 284.69 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine is sourced from PubChem (CID 80524115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).