[4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanamine

C8H9ClF2N2O — CID 130073717

IUPAC[4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanamine
SMILESCOc1nc(C(F)F)cc(Cl)c1CN
InChIInChI=1S/C8H9ClF2N2O/c1-14-8-4(3-12)5(9)2-6(13-8)7(10)11/h2,7H,3,12H2,1H3
InChIKeyNMYKWVMQQNEXHI-UHFFFAOYSA-N
MW222.62 g/mol
LogP2.14
Rot. Bonds3

About [4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanamine

[4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanamine (PubChem CID 130073717) has the molecular formula C8H9ClF2N2O and a molecular weight of 222.62 g/mol. Its IUPAC name is [4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanamine
PubChem CID130073717
Molecular FormulaC8H9ClF2N2O
Molecular Weight222.62 g/mol
Exact Mass222.04
IUPAC Name[4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanamine
SMILESCOc1nc(C(F)F)cc(Cl)c1CN
InChIInChI=1S/C8H9ClF2N2O/c1-14-8-4(3-12)5(9)2-6(13-8)7(10)11/h2,7H,3,12H2,1H3
InChIKeyNMYKWVMQQNEXHI-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

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Related Compounds

[4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol
CID 118822488
[3-chloro-6-(difluoromethyl)-2-methoxy-4-pyridinyl]methanamine
CID 130073730
ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate
CID 133085366
3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine
CID 130068796
2-[3-chloro-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetonitrile
CID 134686354
6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine
CID 130100522
methyl 2-[4-amino-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 134683257
[2-amino-4-chloro-6-(difluoromethyl)-3-pyridinyl]methanol
CID 119002852
4-chloro-6-(difluoromethyl)-2-iodo-3-methoxypyridine
CID 130072992
[3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine
CID 118820044
2-[6-(difluoromethyl)-2-methoxy-4-nitro-3-pyridinyl]acetic acid
CID 133099793
methyl 4-chloro-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 130075735

Frequently Asked Questions

What is the IUPAC name of [4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanamine?
The IUPAC name of [4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanamine (CID 130073717) is [4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanamine.
What is the SMILES notation for [4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanamine?
The canonical SMILES for [4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanamine is COc1nc(C(F)F)cc(Cl)c1CN.
What is the InChIKey of [4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanamine?
The InChIKey is NMYKWVMQQNEXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2O/c1-14-8-4(3-12)5(9)2-6(13-8)7(10)11/h2,7H,3,12H2,1H3.
What are the key properties of [4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanamine?
[4-chloro-6-(difluoromethyl)-2-methoxy-3-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 [4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanamine is sourced from PubChem (CID 130073717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).