[6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine

C8H9ClF2N2O — CID 130073705

IUPAC[6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
SMILESCOc1c(C(F)F)cc(CN)nc1Cl
InChIInChI=1S/C8H9ClF2N2O/c1-14-6-5(8(10)11)2-4(3-12)13-7(6)9/h2,8H,3,12H2,1H3
InChIKeyVAWQYTMIIHQKMN-UHFFFAOYSA-N
MW222.62 g/mol
LogP2.14
Rot. Bonds3

About [6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine

[6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine (PubChem CID 130073705) has the molecular formula C8H9ClF2N2O and a molecular weight of 222.62 g/mol. Its IUPAC name is [6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
PubChem CID130073705
Molecular FormulaC8H9ClF2N2O
Molecular Weight222.62 g/mol
Exact Mass222.04
IUPAC Name[6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
SMILESCOc1c(C(F)F)cc(CN)nc1Cl
InChIInChI=1S/C8H9ClF2N2O/c1-14-6-5(8(10)11)2-4(3-12)13-7(6)9/h2,8H,3,12H2,1H3
InChIKeyVAWQYTMIIHQKMN-UHFFFAOYSA-N
XLogP2.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.62
LogP ≤ 52.14
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

[6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130068701
[4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134668794
[4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 130080557
methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 134669578
[4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine
CID 118819899
[5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine
CID 130071688
[6-(aminomethyl)-3-chloro-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130074984
[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]methanamine
CID 130085511
6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde
CID 133085000
methyl 2-[6-(aminomethyl)-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134677861
2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 118991234
[3-chloro-4-(difluoromethyl)-6-methoxy-2-pyridinyl]methanamine
CID 118836942

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine?
The IUPAC name of [6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine (CID 130073705) is [6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine.
What is the SMILES notation for [6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine?
The canonical SMILES for [6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine is COc1c(C(F)F)cc(CN)nc1Cl.
What is the InChIKey of [6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine?
The InChIKey is VAWQYTMIIHQKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2O/c1-14-6-5(8(10)11)2-4(3-12)13-7(6)9/h2,8H,3,12H2,1H3.
What are the key properties of [6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine?
[6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine has a molecular weight of 222.62 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine is sourced from PubChem (CID 130073705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).