2-chloro-3-(2-chloro-6-fluorophenyl)-N-(1-cyclopropylethyl)-6-pyridin-2-ylpyridin-4-amine

C21H18Cl2FN3 — CID 59007738

IUPAC2-chloro-3-(2-chloro-6-fluorophenyl)-N-(1-cyclopropylethyl)-6-pyridin-2-ylpyridin-4-amine
SMILESCC(Nc1cc(-c2ccccn2)nc(Cl)c1-c1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C21H18Cl2FN3/c1-12(13-8-9-13)26-18-11-17(16-7-2-3-10-25-16)27-21(23)20(18)19-14(22)5-4-6-15(19)24/h2-7,10-13H,8-9H2,1H3,(H,26,27)
InChIKeyUCLWNNLBBCVCSD-UHFFFAOYSA-N
MW402.30 g/mol
LogP6.47
Rot. Bonds5

About 2-chloro-3-(2-chloro-6-fluorophenyl)-N-(1-cyclopropylethyl)-6-pyridin-2-ylpyridin-4-amine

2-chloro-3-(2-chloro-6-fluorophenyl)-N-(1-cyclopropylethyl)-6-pyridin-2-ylpyridin-4-amine (PubChem CID 59007738) has the molecular formula C21H18Cl2FN3 and a molecular weight of 402.30 g/mol. Its IUPAC name is 2-chloro-3-(2-chloro-6-fluorophenyl)-N-(1-cyclopropylethyl)-6-pyridin-2-ylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-3-(2-chloro-6-fluorophenyl)-N-(1-cyclopropylethyl)-6-pyridin-2-ylpyridin-4-amine
PubChem CID59007738
Molecular FormulaC21H18Cl2FN3
Molecular Weight402.30 g/mol
Exact Mass401.09
IUPAC Name2-chloro-3-(2-chloro-6-fluorophenyl)-N-(1-cyclopropylethyl)-6-pyridin-2-ylpyridin-4-amine
SMILESCC(Nc1cc(-c2ccccn2)nc(Cl)c1-c1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C21H18Cl2FN3/c1-12(13-8-9-13)26-18-11-17(16-7-2-3-10-25-16)27-21(23)20(18)19-14(22)5-4-6-15(19)24/h2-7,10-13H,8-9H2,1H3,(H,26,27)
InChIKeyUCLWNNLBBCVCSD-UHFFFAOYSA-N
XLogP6.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.30
LogP ≤ 56.47
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

N-butyl-2-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-4-amine
CID 87503962
N-butyl-4-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-2-amine
CID 68578856
N-(1-cyclopropylethyl)-2-fluoroaniline
CID 43194895
3-chloro-N-(1-cyclopropylethyl)-2-methylaniline
CID 43192017
4-chloro-5-(2-chloro-6-fluorophenyl)-6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 141126143
2-chloro-3-fluoro-6-pyridin-2-ylpyridine
CID 175788383
N-(1-cyclopropylethyl)quinolin-8-amine
CID 43191657
N-(1-cyclopropylethyl)-2,6-difluoroaniline
CID 43123985
2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline
CID 103477842
6-chloro-2-pyridin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
CID 11293409
2-chloro-6-(1-cyclopropylethylamino)benzenecarbothioamide
CID 62502790
3,4-dichloro-N-(1-cyclopropylethyl)aniline
CID 43110972

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-chloro-6-fluorophenyl)-N-(1-cyclopropylethyl)-6-pyridin-2-ylpyridin-4-amine?
The IUPAC name of 2-chloro-3-(2-chloro-6-fluorophenyl)-N-(1-cyclopropylethyl)-6-pyridin-2-ylpyridin-4-amine (CID 59007738) is 2-chloro-3-(2-chloro-6-fluorophenyl)-N-(1-cyclopropylethyl)-6-pyridin-2-ylpyridin-4-amine.
What is the SMILES notation for 2-chloro-3-(2-chloro-6-fluorophenyl)-N-(1-cyclopropylethyl)-6-pyridin-2-ylpyridin-4-amine?
The canonical SMILES for 2-chloro-3-(2-chloro-6-fluorophenyl)-N-(1-cyclopropylethyl)-6-pyridin-2-ylpyridin-4-amine is CC(Nc1cc(-c2ccccn2)nc(Cl)c1-c1c(F)cccc1Cl)C1CC1.
What is the InChIKey of 2-chloro-3-(2-chloro-6-fluorophenyl)-N-(1-cyclopropylethyl)-6-pyridin-2-ylpyridin-4-amine?
The InChIKey is UCLWNNLBBCVCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2FN3/c1-12(13-8-9-13)26-18-11-17(16-7-2-3-10-25-16)27-21(23)20(18)19-14(22)5-4-6-15(19)24/h2-7,10-13H,8-9H2,1H3,(H,26,27).
What are the key properties of 2-chloro-3-(2-chloro-6-fluorophenyl)-N-(1-cyclopropylethyl)-6-pyridin-2-ylpyridin-4-amine?
2-chloro-3-(2-chloro-6-fluorophenyl)-N-(1-cyclopropylethyl)-6-pyridin-2-ylpyridin-4-amine has a molecular weight of 402.30 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-chloro-6-fluorophenyl)-N-(1-cyclopropylethyl)-6-pyridin-2-ylpyridin-4-amine is sourced from PubChem (CID 59007738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).