[3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine

C7H6ClF3N2 — CID 118829918

IUPAC[3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine
SMILESNCc1c(C(F)F)cnc(F)c1Cl
InChIInChI=1S/C7H6ClF3N2/c8-5-3(1-12)4(6(9)10)2-13-7(5)11/h2,6H,1,12H2
InChIKeyJNTQEJDKPYBICG-UHFFFAOYSA-N
MW210.59 g/mol
LogP2.27
Rot. Bonds2

About [3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine

[3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine (PubChem CID 118829918) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is [3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine
PubChem CID118829918
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name[3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine
SMILESNCc1c(C(F)F)cnc(F)c1Cl
InChIInChI=1S/C7H6ClF3N2/c8-5-3(1-12)4(6(9)10)2-13-7(5)11/h2,6H,1,12H2
InChIKeyJNTQEJDKPYBICG-UHFFFAOYSA-N
XLogP2.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.59
LogP ≤ 52.27
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

3,4-dichloro-5-(difluoromethyl)-2-fluoropyridine
CID 130099211
[5-chloro-3-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine
CID 130071715
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine
CID 118844985
[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130074919
3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130071095
[5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine
CID 130081364
3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine
CID 130107809
4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol
CID 118839459
[5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine
CID 130100567
[5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine
CID 130071688
5-(aminomethyl)-4-(difluoromethyl)-6-fluoropyridin-3-amine
CID 130104000
2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol
CID 118997020

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine?
The IUPAC name of [3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine (CID 118829918) is [3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine is NCc1c(C(F)F)cnc(F)c1Cl.
What is the InChIKey of [3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine?
The InChIKey is JNTQEJDKPYBICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2/c8-5-3(1-12)4(6(9)10)2-13-7(5)11/h2,6H,1,12H2.
What are the key properties of [3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine?
[3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine has a molecular weight of 210.59 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine is sourced from PubChem (CID 118829918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).