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

C8H9ClF2N2 — CID 130074108

IUPAC[6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine
SMILESCc1cc(CN)nc(Cl)c1C(F)F
InChIInChI=1S/C8H9ClF2N2/c1-4-2-5(3-12)13-7(9)6(4)8(10)11/h2,8H,3,12H2,1H3
InChIKeyDNXVXVCCYJLRNX-UHFFFAOYSA-N
MW206.62 g/mol
LogP2.44
Rot. Bonds2

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

[6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine (PubChem CID 130074108) has the molecular formula C8H9ClF2N2 and a molecular weight of 206.62 g/mol. Its IUPAC name is [6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine
PubChem CID130074108
Molecular FormulaC8H9ClF2N2
Molecular Weight206.62 g/mol
Exact Mass206.04
IUPAC Name[6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine
SMILESCc1cc(CN)nc(Cl)c1C(F)F
InChIInChI=1S/C8H9ClF2N2/c1-4-2-5(3-12)13-7(9)6(4)8(10)11/h2,8H,3,12H2,1H3
InChIKeyDNXVXVCCYJLRNX-UHFFFAOYSA-N
XLogP2.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.62
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanamine
CID 130085953
[6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanamine
CID 130073082
6-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridin-2-amine
CID 118997828
2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 133084251
[6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130073705
6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile
CID 58106161
2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine
CID 130102739
2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119024121
[4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine
CID 130108006
[4-(difluoromethyl)-6-methyl-2-pyridinyl]methanamine
CID 130097545
6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130078267
[5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol
CID 130086168

Frequently Asked Questions

What is the IUPAC name of [6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine?
The IUPAC name of [6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine (CID 130074108) is [6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine.
What is the SMILES notation for [6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine?
The canonical SMILES for [6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine is Cc1cc(CN)nc(Cl)c1C(F)F.
What is the InChIKey of [6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine?
The InChIKey is DNXVXVCCYJLRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2/c1-4-2-5(3-12)13-7(9)6(4)8(10)11/h2,8H,3,12H2,1H3.
What are the key properties of [6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine?
[6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine has a molecular weight of 206.62 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine is sourced from PubChem (CID 130074108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).